
     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  1  5  1  0
  1  6  1  0
  1  7  1  0
  4  8  1  0
  4  9  1  0
  4 10  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.8532    1.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0417    0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7286   -1.1255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5435    0.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1434    1.6134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417    1.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7662   -0.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2680   -0.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4189   -2.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9172   -2.3871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3925   -3.5768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3514    1.3977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6680    2.8750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3285    3.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9514    0.4957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5777   -2.1713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  4  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
M  CHG  1  11  -1
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
   -3.7888   -0.5263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4051   -1.1055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2117   -0.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1720   -0.7761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3654    0.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7491   -0.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9393   -1.9346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425    0.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1752    1.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2084    2.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    1.2910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2150   -2.5934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9822   -1.4350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622   -2.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3229   -2.5138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3687    2.5291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3986    3.6876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7855    1.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 12  2  0
  3 11  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  9  1  0
  6  7  1  0
  6  8  2  0
  9 10  2  0
 10 11  1  0
  1 13  1  0
  4 14  1  0
  7 15  1  0
  9 16  1  0
 10 17  1  0
 11 18  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    0.4910   -2.7402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910   -1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9820    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550    0.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9459   -0.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4369    1.7953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4910    2.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    2.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640    1.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730    0.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4550   -1.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9640   -2.4568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279   -0.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9640   -1.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4189   -1.0394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4730    3.4962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730    4.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369    1.7953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9459   -3.5907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550   -3.3072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2 15  1  0
  3  4  2  0
  3 11  1  0
  4  5  1  0
  4  8  1  0
  5  6  1  0
  5  7  2  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  0
 13 20  1  0
 15 21  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.2835   -0.9737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8746   -1.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7244   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6845   -1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8348   -0.0776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2437   -0.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3939    0.3704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5024   -2.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    1.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672    1.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830    0.9519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920    1.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5422    0.5039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6506    2.9442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6159   -2.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9432   -2.5179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8028   -0.1443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7264    2.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0915    3.3922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9511    1.0186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7662   -3.9287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2 15  1  0
  3  4  2  0
  3 11  1  0
  4  5  1  0
  5  6  1  0
  5  9  2  0
  6  7  1  0
  6  8  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
  4 16  1  0
  7 17  1  0
  9 18  1  0
 10 19  1  0
 13 20  1  0
 15 21  1  0
M  END
$$$$

     RDKit          2D

 21 21  0  0  0  0  0  0  0  0999 V2000
    3.7500    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -2.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -3.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.1962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7500   -3.8971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4 15  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6 10  1  0
  7  8  1  0
  7  9  2  0
 10 11  2  0
 11 12  1  0
 11 15  1  0
 12 13  1  0
 12 14  2  0
  3 16  1  0
  5 17  1  0
  8 18  1  0
 10 19  1  0
 13 20  1  0
 15 21  1  0
M  END
$$$$

     RDKit          2D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.7500    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -2.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -2.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.4614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    2.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    2.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.4614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000   -1.1367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.7347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -3.7347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.1367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    4.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0
  1  2  2  0
  1  6  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  2 11  1  0
  3 12  1  0
  4 13  1  0
  5 14  1  0
  8 15  1  0
  9 16  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -3.0404    0.7974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171   -0.3847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6791   -1.7755    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6316   -0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2917   -1.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7771   -1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3392    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4158    1.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0696    1.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259    0.5888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2703   -2.7490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7005   -2.3318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246    0.4496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9779    2.8139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    2.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  9  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  1 10  1  0
  5 11  1  0
  6 12  1  0
  7 13  1  0
  8 14  1  0
  9 15  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
    4.9688   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4688    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5312    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2813   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688    2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5312    2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313   -2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4687   -2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  9  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  3 10  1  0
  3 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
  9 16  1  0
M  END
$$$$

     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  2  5  1  0
  2  6  1  0
M  END
$$$$

     RDKit          2D

 14 15  0  0  0  0  0  0  0  0999 V2000
    4.4666   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.9666   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849   -1.2135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6583    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9397   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0849    1.2135    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2388    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2388   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 10  1  0
  2  3  2  0
  3  4  1  0
  4  9  1  0
  4  5  2  0
  5  6  1  0
  5 10  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  6 11  1  0
  7 12  1  0
  8 13  1  0
  9 14  1  0
M  END
$$$$

     RDKit          2D

 14 13  0  0  1  0  0  0  0  0999 V2000
    1.4631    0.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9257   -0.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884   -2.1754    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4747   -0.2377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8752    0.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0004    2.0259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635    0.0881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810    1.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262   -1.3123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -1.6381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2606    0.6218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756    0.8370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3378    1.7001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4125   -1.1008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  4 10  1  0
  4 11  1  0
  5 12  1  0
  5 13  1  0
  5 14  1  0
M  END
$$$$

     RDKit          2D

  6  5  0  0  1  0  0  0  0  0999 V2000
    0.5000    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  3  0
  2  6  1  0
M  END
$$$$

     RDKit          2D

  5  4  0  0  1  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
$$$$

     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
$$$$

     RDKit          2D

 11 10  0  0  1  0  0  0  0  0999 V2000
   -2.5233    1.5605    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0124    0.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6021    0.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455   -0.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9558    0.2061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2828   -1.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5015   -1.2601    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4227   -0.3607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4667   -1.2042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4449    1.6164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3662    0.7170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  7  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  2  8  1  0
  5  9  1  0
  5 10  1  0
  5 11  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  1  0  0  0  0  0999 V2000
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.1490    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  6  2  0
  3  4  1  0
  3  5  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  1  0  0  0  0  0999 V2000
    2.3057    1.2616    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.9923   -0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6790   -1.6722    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5254    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903   -0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4732   -2.1071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8886   -0.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5752    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5778    2.4395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833    1.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6681    2.7773    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.4592   -0.5187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234   -1.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9648   -1.9488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  1  0
  2  4  1  0
  4 10  2  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
  2 12  1  0
  5 13  1  0
  6 14  1  0
M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -2.1429    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8571   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$

     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.0000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  5  1  0
  2  6  1  0
  3  4  3  0
M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.6429    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6429    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  2  0
M  CHG  2   5   1   6  -1
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.1490    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  3  8  1  0
  3  9  1  0
  3 10  1  0
M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.6071    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8571    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429   -0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  7  2  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
M  CHG  2   1  -1   2   1
M  END
$$$$

     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
   -4.0153    0.6839    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717    0.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1282   -0.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3154   -0.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589   -0.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8337    0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9085    1.1460    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9793   -1.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641    1.7198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7205    1.3122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358   -1.5749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0923   -1.9826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7230    0.9045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8801   -0.9751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    1.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  2  8  1  0
  2  9  1  0
  3 10  1  0
  3 11  1  0
  4 12  1  0
  4 13  1  0
  6 14  1  0
  6 15  1  0
M  END
$$$$

     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -3.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.0769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.0769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.5769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.5769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.9231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.9231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
M  END
$$$$

     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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    1.2990    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  2  7  1  0
  3  8  1  0
  3  9  1  0
  4 10  1  0
  4 11  1  0
  5 12  1  0
M  END
$$$$

     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
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  4 10  1  0
  4 11  1  0
  5 12  1  0
  5 13  1  0
  5 14  1  0
M  END
$$$$

     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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  1  8  1  0
  2  9  1  0
  2 10  1  0
  5 11  1  0
  5 12  1  0
  5 13  1  0
M  END
$$$$

     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    0.3018    1.8632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
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  5  6  1  0
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  6  8  2  0
  3  9  1  0
  4 10  1  0
  5 11  1  0
  7 12  1  0
M  END
$$$$

     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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    1.6751   -0.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  3
  4  5  1  0
  5  6  1  0
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  1  9  1  0
  3 10  1  0
  4 11  1  0
  6 12  1  0
M  END
$$$$

     RDKit          2D

 29 28  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
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  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
 11 24  1  0
M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -1.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1429    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.6071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.6429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  3  6  1  0
  3  7  1  0
M  END
$$$$

     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -2.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  2  5  1  0
  2  6  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  1  0  0  0  0  0999 V2000
    3.7362   -0.6009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2895   -1.6774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1084   -1.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5889   -0.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0233    0.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1849    1.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2357    2.4746    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.1515    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4273    0.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9710    2.1438    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5031   -2.5808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5380   -2.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464    2.2622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2 10  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6 10  2  0
  7  8  1  0
  7  9  1  0
 10 11  1  0
  4 12  1  0
  5 13  1  0
  7 14  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  1  0  0  0  0  0999 V2000
    3.1352    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6352    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2947    1.8121    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6148    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3648    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8852   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247    2.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244    1.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3543   -2.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -1.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2947   -1.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247   -2.7762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  8  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  3  9  1  0
  5 10  1  0
  5 11  1  0
  6 12  1  0
  6 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
   -0.6429    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6429   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6071    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6071   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  6  1  0
  4  5  2  0
  4  7  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  1  0  0  0  0  0999 V2000
   -1.4732   -2.1071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903   -0.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8886   -0.1432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6681    2.7773    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5254    0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9923   -0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057    1.2616    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.6790   -1.6722    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9648   -1.9488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5234   -1.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4592   -0.5187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  8  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -3.5459   -0.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1415   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7423    1.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2438    1.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1282    0.9466    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3299   -1.9452    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8897   -1.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1749   -0.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  9  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  9  2  0
  6  7  1  0
  6  8  1  0
  9 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
M  END
$$$$

     RDKit          2D

 14 13  0  0  0  0  0  0  0  0999 V2000
   -3.0848    0.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7666    0.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5270    2.3977    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    0.9092   -2.8164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 11  2  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  5  8  1  0
  6  7  2  0
  8  9  1  0
  8 10  1  0
  1 12  1  0
  6 13  1  0
  8 14  1  0
M  END
$$$$

     RDKit          2D

 38 37  0  0  1  0  0  0  0  0999 V2000
    6.9421    1.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8835   -0.4135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
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 11 32  1  0
 11 33  1  0
 12 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 13 38  1  0
M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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   -1.0954    2.1470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  2  3  2  3
  3  4  1  0
  4  9  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  2 10  1  0
  3 11  1  0
  5 12  1  0
  6 13  1  0
  7 14  1  0
  8 15  1  0
  9 16  1  0
M  END
$$$$

     RDKit          2D

 19 18  0  0  1  0  0  0  0  0999 V2000
    2.9407    2.8051    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9367    1.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1818    1.5802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2262    1.2412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4727    0.3986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6933    1.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3178   -1.3808    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226   -3.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020   -2.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677   -1.5827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  7  1  0
  4  5  1  0
  5  6  1  0
  7  8  1  0
  2  9  1  0
  2 10  1  0
  3 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  6 15  1  0
  6 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
M  END
$$$$

     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.4498    1.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1523    0.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7303   -0.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6917   -0.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9892   -2.1592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8161    0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406    1.2965    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2768   -0.7268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2529    1.2104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078   -1.6335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8234    1.4282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8089   -0.8207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  2  8  1  0
  3  9  1  0
  3 10  1  0
  6 11  1  0
  6 12  1  0
M  END
$$$$

     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.5295   -0.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1121   -0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0218   -1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4392   -0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7226    0.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5888    1.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8286    0.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625    1.9640    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6633    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2617   -2.9459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731   -1.9640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    0.9820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8722    2.9459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  7  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  3 10  1  0
  4 11  1  0
  5 12  1  0
  6 13  1  0
M  END
$$$$

     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.7157    2.1156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    0.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4602   -0.3735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5048   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9419   -0.6334    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1139   -1.8330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4975    1.6634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3622   -1.2108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0749   -1.6407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9346    1.2335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
  4  8  1  0
  4  9  1  0
  5 10  1  0
  5 11  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  5  2  0
  3  4  1  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  3  9  1  0
  3 10  1  0
M  END
$$$$

     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    2.6445    0.4164    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3865   -0.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1284   -1.2173    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    0.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9284    0.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452    2.0373    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094   -0.5573    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2033   -1.6585    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2507    2.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074   -0.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926   -1.8153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  2  1  0
  2  8  1  0
  4  5  2  3
  5  6  1  0
  5  7  1  0
  4  9  1  0
  7 10  1  0
  7 11  1  0
M  END
$$$$

     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -1.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  3  0
  2  5  1  0
M  END
$$$$

     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
   -1.5000    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  3  0
M  END
$$$$

     RDKit          2D

  3  2  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
M  END
$$$$

     RDKit          2D

 36 36  0  0  0  0  0  0  0  0999 V2000
   -1.1739   -2.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3030   -2.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7131   -2.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6787   -1.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410    0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4297    1.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2818    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951    2.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6053    2.3733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5709    1.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8331   -0.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1119   -3.8406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3730   -3.5285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8109   -1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  0
  7 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
M  END
$$$$

     RDKit          2D

 31 30  0  0  0  0  0  0  0  0999 V2000
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   -0.0000    5.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990   -7.7177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  7 25  1  0
  7 26  1  0
  8 27  1  0
  8 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  0
M  END
$$$$

     RDKit          2D

 32 31  0  0  0  0  0  0  0  0999 V2000
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    5.3202    0.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8209   -0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6785   -0.1032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1782   -0.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1527   -1.6285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9498    1.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
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  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 11 32  1  0
M  END
$$$$

     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.5000    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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    2.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  3  0
M  END
$$$$

     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    1.4490    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.1490    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  6  2  0
  3  4  1  0
  3  5  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
M  END
$$$$

     RDKit          2D

 39 39  0  0  0  0  0  0  0  0999 V2000
   -0.0095   -1.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407   -0.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1409    2.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2027   -1.7968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2 14  2  0
  2  3  1  0
  3  4  1  0
  3  8  2  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  8  9  1  0
  9 10  1  0
  9 13  2  0
 10 11  1  0
 10 12  2  0
 13 14  1  0
 14 15  1  0
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 15 17  1  0
 15 18  1  0
  1 19  1  0
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  8 29  1  0
 13 30  1  0
 16 31  1  0
 16 32  1  0
 16 33  1  0
 17 34  1  0
 17 35  1  0
 17 36  1  0
 18 37  1  0
 18 38  1  0
 18 39  1  0
M  CHG  2  10   1  11  -1
M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.6429    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6071   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  2  6  1  0
  4  7  1  0
M  END
$$$$

     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
    1.1578   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8815    1.1705    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4341   -1.4573    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7536    0.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4095   -1.6954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  3  1  0
  1  4  1  0
  4  5  2  0
  4  6  1  0
  1  7  1  0
  6  8  1  0
  6  9  1  0
M  END
$$$$

     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  0  0  0  0  0  0999 V2000
   -1.9286   -2.5981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1786   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5714   -2.5981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  6  1  0
  3  4  1  0
  4  8  2  0
  4  5  1  0
  6  7  2  0
  6 10  1  0
  7  8  1  0
  8  9  1  0
  3 11  1  0
  7 12  1  0
  9 13  1  0
 10 14  1  0
M  END
$$$$

     RDKit          2D

  9  8  0  0  1  0  0  0  0  0999 V2000
   -1.3416    1.9379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    0.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6833    0.5963    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0125   -0.0745    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6708    1.2671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3416   -1.4162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  7  1  0
  3  4  1  0
  3  5  1  0
  5  6  3  0
  2  8  1  0
  3  9  1  0
M  END
$$$$

     RDKit          2D

 14 13  0  0  1  0  0  0  0  0999 V2000
    1.6596    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4283   -0.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8910   -1.0976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163    0.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2462   -1.0243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
M  END
$$$$

     RDKit          2D

 12 11  0  0  1  0  0  0  0  0999 V2000
   -3.3750   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  7  1  0
  4  5  1  0
  5  6  3  0
  2  8  1  0
  2  9  1  0
  3 10  1  0
  4 11  1  0
  4 12  1  0
M  END
$$$$

     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.9905   -0.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5609    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8687    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9768   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9657   -1.4238    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.9878    0.7923    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903    2.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5364   -1.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4446    1.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4201   -0.6669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1068   -1.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0149    1.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0848   -1.3268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  7  2  0
  4  5  1  0
  4  6  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  4 13  1  0
M  END
$$$$

     RDKit          2D

  5  4  0  0  0  0  0  0  0  0999 V2000
   -1.2990   -0.7500    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.2990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500    1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
$$$$

     RDKit          2D

 17 16  0  0  1  0  0  0  0  0999 V2000
   -0.8340    2.6488    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130    1.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5920   -0.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711   -1.8366    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9031   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982   -0.0995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0871   -0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5980    1.1904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1545    1.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9398    0.6645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0241   -1.7156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8933    0.0215    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2772    1.3956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5192   -1.5946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5823   -0.5834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9662   -1.9576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2657    0.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  7  1  0
  5  6  1  0
  2  8  1  0
  2  9  1  0
  5 10  1  0
  5 11  1  0
  6 12  1  0
  6 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
M  END
$$$$

     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
   -3.5963    0.7649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3935   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0159    0.4623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413    1.9521    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1869   -0.4338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0123   -1.9236    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5645    0.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7674   -0.7363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7391    1.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5681   -1.6211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1449   -0.1427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  2 10  1  0
  8 11  1  0
M  END
$$$$

     RDKit          2D

 18 17  0  0  1  0  0  0  0  0999 V2000
   -2.7364    2.0906    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2771    0.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8178   -0.7653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -2.1933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3899   -0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    0.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4660    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4973   -1.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7051    0.2033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4733    1.0346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458   -1.2246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0694   -1.7340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5563    0.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5788    1.5812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940    1.0718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0067    2.0405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0959   -0.7488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142   -1.7673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  2  9  1  0
  2 10  1  0
  3 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  6  2  0
  3  4  1  0
  3  5  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  5  1  0
  3  4  1  0
  5  6  1  0
  3  7  1  0
  3  8  1  0
  5  9  1  0
  5 10  1  0
M  END
$$$$

     RDKit          2D

 12 12  0  0  1  0  0  0  0  0999 V2000
   -0.0677   -1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1558   -0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347    0.0842    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100    0.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599    2.1129    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    0.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2505   -1.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -1.6620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0689   -1.8896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9240    1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    1.9581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4725    0.5763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  2  9  1  0
  4 10  1  0
  6 11  1  0
  6 12  1  0
M  END
$$$$

     RDKit          2D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -1.0358   -0.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798   -1.0992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5060   -0.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165    0.8331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2427    1.2979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7009    1.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7252    1.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6216   -1.6371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4620   -0.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5776    0.4414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725   -2.0288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2307   -2.5667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3583    0.2952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0115    3.3033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8409    2.3737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3111   -3.1046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0038   -0.0234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0
  1  2  1  0
  1  9  1  0
  2  3  2  0
  3  4  1  0
  3  8  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  9 10  1  0
  9 11  2  0
  2 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
 10 17  1  0
M  END
$$$$

     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
    3.4802   -0.6153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4807    0.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0123    0.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4561   -0.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7625    1.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9245   -0.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9240    0.7026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5636   -1.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498   -1.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9496    1.9280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9485   -0.3090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384    1.0795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2975   -0.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2613    1.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0761    1.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688    2.8272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3924    0.3963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5699   -2.0610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7329   -1.5041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1566   -3.0463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 10  2  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  4  9  1  0
  6  7  1  0
  6  8  2  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  5 14  1  0
  5 15  1  0
  5 16  1  0
  7 17  1  0
  9 18  1  0
  9 19  1  0
  9 20  1  0
M  END
$$$$

     RDKit          2D

 20 20  0  0  1  0  0  0  0  0999 V2000
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  2  7  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  6 20  1  0
M  END
$$$$

     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.9831    0.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3825   -0.6095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  6  2  0
  3  4  1  0
  3  5  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
  4 12  1  0
M  END
$$$$

     RDKit          2D

 24 23  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  2  7  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
  3 11  1  0
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  9 19  1  0
  9 20  1  0
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 10 22  1  0
 10 23  1  0
 10 24  1  0
M  END
$$$$

     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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  2  6  1  0
  2  7  1  0
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  3  5  2  0
  7  8  1  0
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  8 22  1  0
 10 23  1  0
M  END
$$$$

     RDKit          2D

 36 35  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
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  2  8  2  0
  3  4  1  0
  3  7  2  0
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  1 10  1  0
  1 11  1  0
  5 12  1  0
M  END
$$$$

     RDKit          2D

 37 36  0  0  0  0  0  0  0  0999 V2000
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$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

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M  END
$$$$

     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

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    3.4286    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  3  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
M  END
$$$$

     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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    4.4880    0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9977   -0.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  3 10  1  0
  4 11  1  0
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  7 17  1  0
  7 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5490   -1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  7  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
M  END
$$$$

     RDKit          2D

 50 49  0  0  0  0  0  0  0  0999 V2000
   11.9633   -1.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2046    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9458    1.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.7949   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
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 13 14  1  0
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 17 18  1  0
  1 19  1  0
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 18 49  1  0
 18 50  1  0
M  END
$$$$

     RDKit          2D

 48 47  0  0  0  0  0  0  0  0999 V2000
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   10.8190    0.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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  6  7  1  0
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 11 10  1  0
 11 12  2  3
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 17 18  1  0
  1 19  1  0
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M  END
$$$$

     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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  6 19  1  0
M  END
$$$$

     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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  2 10  2  0
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  8 20  1  0
M  END
$$$$

     RDKit          2D

 68 67  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 20 19  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
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M  END
$$$$

     RDKit          2D

 19 18  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 16 16  0  0  0  0  0  0  0  0999 V2000
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   -4.7278   -0.1846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2 10  1  0
  3  9  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  4 11  1  0
  6 12  1  0
  7 13  1  0
  8 14  1  0
  9 15  1  0
 10 16  1  0
M  END
$$$$

     RDKit          2D

 27 27  0  0  0  0  0  0  0  0999 V2000
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    1.4870   -0.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  7  1  0
  4  5  1  0
  4  6  2  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  1 14  1  0
  2 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
 13 26  1  0
 13 27  1  0
M  END
$$$$

     RDKit          2D

 22 21  0  0  0  0  0  0  0  0999 V2000
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   -2.3876    0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4863    0.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4637    1.3736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  2  3
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  5 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
M  END
$$$$

     RDKit          2D

 14 14  0  0  1  0  0  0  0  0999 V2000
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    0.2323   -0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6646    2.9796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  9  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  9 10  1  0
 10 11  2  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
M  END
$$$$

     RDKit          2D

 36 35  0  0  1  0  0  0  0  0999 V2000
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    4.4448   -0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0
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 13 14  1  0
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 10 28  1  0
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 14 34  1  0
 14 35  1  0
 14 36  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
  2  3  1  0
  2 10  1  0
  3  9  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
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  4 11  1  0
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  6 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2 10  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
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  7 16  1  0
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 10 18  1  0
M  END
$$$$

     RDKit          2D

 15 14  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  3  0
  1  7  1  0
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  1  9  1  0
  2 10  1  0
  3 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
M  END
$$$$

     RDKit          2D

 15 15  0  0  1  0  0  0  0  0999 V2000
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   -0.5488   -0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1427    0.6006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7655   -1.3711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  8  1  0
  3  4  1  0
  3  7  2  0
  4  5  1  0
  5  8  1  0
  5  6  2  0
  8  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
M  END
$$$$

     RDKit          2D

 34 33  0  0  1  0  0  0  0  0999 V2000
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  3 12  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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 10 11  1  0
  2 13  1  0
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 11 29  1  0
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 12 32  1  0
 12 33  1  0
 12 34  1  0
M  END
$$$$

     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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    3.4710   -1.7036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  4 10  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
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  5 11  1  0
  5 12  1  0
  7 13  1  0
 10 14  1  0
 10 15  1  0
 10 16  1  0
M  END
$$$$

     RDKit          2D

 24 24  0  0  0  0  0  0  0  0999 V2000
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    1.2597   -0.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  2  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  7  1  0
  4  5  1  0
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  1 13  1  0
  2 14  1  0
  5 15  1  0
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 11 20  1  0
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 12 23  1  0
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M  END
$$$$

     RDKit          2D

 25 25  0  0  0  0  0  0  0  0999 V2000
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    2.2520   -0.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 22  1  0
 11 23  1  0
 11 24  1  0
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M  END
$$$$

     RDKit          2D

 15 15  0  0  0  0  0  0  0  0999 V2000
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  1  2  2  0
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  2  9  1  0
  3  8  1  0
  3  4  2  0
  4  5  1  0
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  4 10  1  0
  5 11  1  0
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  9 15  1  0
M  END
$$$$

     RDKit          2D

  9  8  0  0  0  0  0  0  0  0999 V2000
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   -0.1560   -0.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0
  2  3  1  0
  2  5  2  0
  3  4  2  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  3  9  1  0
M  END
$$$$

     RDKit          2D

 23 22  0  0  0  0  0  0  0  0999 V2000
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    4.3029    0.7379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1825   -2.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1342   -1.2137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6258    1.6024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259    1.3691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9301    2.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2600   -1.4435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1099    0.9183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3658   -1.1876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  9  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  3 10  1  0
  3 11  1  0
  4 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END
$$$$

     RDKit          2D

 21 20  0  0  1  0  0  0  0  0999 V2000
    2.1815    1.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0487    0.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6884   -0.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3204   -1.7400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6720   -1.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8995   -0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1270    0.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9859   -2.4785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3722   -0.4537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    1.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6874    1.8793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3143    3.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0563    0.9807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0472   -2.5332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476   -1.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9524   -3.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7616   -1.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0374    1.0779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2650    1.9399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9891   -0.5151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3546    1.5745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  9  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  8  2  0
  6  7  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  7 21  1  0
M  END
$$$$

     RDKit          2D

 13 13  0  0  0  0  0  0  0  0999 V2000
   -2.8425   -0.1270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186    0.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630    1.7737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5370    1.7821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0085    0.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376   -0.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2001   -0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9628    0.8705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1462   -1.5959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668   -0.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9821   -1.5266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932    1.3317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1917   -2.0303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  7  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  1  8  1  0
  1  9  1  0
  6 10  1  0
  6 11  1  0
  6 12  1  0
  7 13  1  0
M  END
$$$$

     RDKit          2D

 20 19  0  0  1  0  0  0  0  0999 V2000
    3.7016    1.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8620   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6782   -1.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3640   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2864    1.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1340   -0.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -0.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1300   -0.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9462    0.8825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8117   -1.7121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9965   -2.6601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4416   -1.6411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028    1.4172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637    1.6145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    2.8529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873    0.6516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564   -1.7187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7096    1.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543   -1.7963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4442    0.8049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  3 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  9 20  1  0
M  END
$$$$

     RDKit          2D

 19 18  0  0  1  0  0  0  0  0999 V2000
    0.0677    1.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2026    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2728   -0.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7482   -0.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780    0.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6499   -0.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501    1.6286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9519    1.4404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3637    1.9408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3381    2.9681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4730   -1.4582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0024   -1.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375    0.5921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4779   -1.9990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0186    0.9519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2237   -0.7939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7925    0.1168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5073   -1.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6218   -1.9976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  5  1  0
  3  4  1  0
  5  6  1  0
  5  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  6 18  1  0
  6 19  1  0
M  END
$$$$

     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    0.2997   -1.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0310    0.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941    0.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4321    0.7629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -0.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5340   -1.3301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7922   -0.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6304   -2.4940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3617    1.8953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248    1.5645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4056   -0.7798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9572   -0.2293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8772    2.1953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  3 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    0.6429    1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6429   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8571    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6071   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
M  CHG  2   4   1   6  -1
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.1500    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8500    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  7  1  0
  4  5  2  0
  4  6  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
M  CHG  2   4   1   6  -1
M  END
$$$$

     RDKit          2D

 28 27  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    4.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    2.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -6.9643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    5.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    5.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    4.2857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    4.2857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    2.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    2.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.2857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.2857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.2143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.2143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -3.2143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -3.2143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -4.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -4.7143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -6.9643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  8 26  1  0
  8 27  1  0
  9 28  1  0
M  END
$$$$

     RDKit          2D

 29 28  0  0  0  0  0  0  0  0999 V2000
    6.7476    1.7007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0668    0.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8841   -0.8938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5689    0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0710    0.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5731    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4228   -0.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9207   -0.1088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 11 13  2  0
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 12 29  1  0
M  END
$$$$

     RDKit          2D

 29 28  0  0  0  0  0  0  0  0999 V2000
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  2  3  1  0
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 11 29  1  0
M  END
$$$$

     RDKit          2D

 56 55  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
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 11 26  1  0
M  END
$$$$

     RDKit          2D

 26 25  0  0  0  0  0  0  0  0999 V2000
    5.3360    0.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8365    0.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3370    0.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8376   -0.0279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6619   -0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1614   -0.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6609   -0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1604   -0.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9443    1.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8759   -1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3755   -1.4090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8760   -1.4484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7014    1.4321    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7004    1.3531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6214   -1.6459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4438    1.0535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  9 26  1  0
M  END
$$$$

     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
   -3.3615    0.0584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9000   -0.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0461    0.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4846   -1.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0692    1.2398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3154    2.2523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4615   -1.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3846   -1.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2471   -0.9812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9221    1.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9461   -1.6292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  9  2  0
  3  4  1  0
  3  8  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  1 10  1  0
  4 11  1  0
  4 12  1  0
  6 13  1  0
M  END
$$$$

     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.8661    0.3551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4182   -0.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0297   -0.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776   -0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5409    0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1563    1.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622   -2.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580   -1.0928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3141    0.7469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8101   -1.4847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0264    1.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4215    1.0193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621   -1.8765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0521    0.9038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  8  2  0
  5  6  1  0
  5  7  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  6 16  1  0
M  END
$$$$

     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.8479    0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -0.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3503   -0.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1050    0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5604    0.3880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6026   -0.6908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9735    1.8300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2188   -2.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9267   -0.6652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692    1.4193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8902    1.4558    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0129   -1.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    1.1169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4682   -1.4306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7418    1.4801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0580   -0.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  8  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  6 16  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -1.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -1.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -1.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  6  1  0
  3  4  1  0
  3  5  2  0
  6  7  1  0
  6  8  2  0
  4  9  1  0
  7 10  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.5564    0.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2690   -0.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0414    0.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3288   -0.6358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0644    1.6339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3262   -1.1135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7865    1.4613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438    0.9437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6392    0.0942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  6  2  0
  3  4  1  0
  3  5  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -2.5981    0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  9  1  0
  4  5  1  0
  4  8  2  0
  5  6  1  0
  5  7  1  0
  5 10  1  0
M  END
$$$$

     RDKit          2D

 47 46  0  0  0  0  0  0  0  0999 V2000
   11.2315    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4984    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2652   -1.0978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
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 10 11  1  0
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  3 18  1  0
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 16 44  1  0
 17 45  1  0
 17 46  1  0
 17 47  1  0
M  END
$$$$

     RDKit          2D

 16 15  0  0  0  0  0  0  0  0999 V2000
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   -0.0000    1.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000    2.8125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5000    1.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.3125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.6875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.6875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -3.9375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
M  END
$$$$

     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
    3.7500   -1.1462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0000    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7500    1.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500    1.4519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500   -1.1462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -1.3472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    1.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -1.3472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.6528    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -1.1462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  9  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  1 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  7 17  1  0
M  END
$$$$

     RDKit          2D

 17 16  0  0  0  0  0  0  0  0999 V2000
    3.6891   -0.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8567    0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370    0.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6339   -0.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307   -0.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    1.6065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1860   -0.8892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2629    1.6615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4568   -1.3322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0400   -1.4292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2340    1.5646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7309    1.4676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5369   -1.5261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0338   -1.6231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2277    1.3706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6276   -0.2233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  7  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  1  8  1  0
  3  9  1  0
  3 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
M  END
$$$$

     RDKit          2D

 18 18  0  0  0  0  0  0  0  0999 V2000
    3.7921    0.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9439   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4484   -0.1847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0471   -0.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6944    1.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1899    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0381    0.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3909   -1.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8954   -1.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912   -1.6539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2876    0.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5644    1.3108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324   -1.6803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538    2.5216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8372    2.7536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5336    0.2793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2391   -2.4270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2481   -2.6590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 10  2  0
  3  4  1  0
  4  9  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
M  END
$$$$

     RDKit          2D

 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.9604    0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8920   -0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4460   -0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0685    1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775    1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3775   -1.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0685   -1.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4460    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8920    0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2694    2.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694   -2.2496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0132   -0.8136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9077    1.3234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0289    1.3077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1370    2.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7550    2.9034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7550   -2.9034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1370   -2.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0132    0.8136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -1.3234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -1.3077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 12  2  0
  3  4  2  0
  3  6  1  0
  4  5  1  0
  5  8  2  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
 10 20  1  0
 10 21  1  0
 10 22  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000    1.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000    1.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000   -0.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5000   -0.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  1  5  1  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
  2  9  1  0
  3 10  1  0
M  END
$$$$

     RDKit          2D

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.8101    2.1810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5576    0.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7118   -0.2556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1508    0.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559   -0.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4102    0.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5084   -1.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4593   -1.7342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3698    1.5885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6715   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8169    0.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  3  8  1  0
  4  9  1  0
  4 10  1  0
  6 11  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  7  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  6  1  0
  3  4  1  0
  3  5  1  0
  6  7  1  0
  6  8  1  0
  3  9  1  0
  6 10  1  0
M  END
$$$$

     RDKit          2D

 74 73  0  0  0  0  0  0  0  0999 V2000
   17.2804    0.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7804    0.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2804    0.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7804    0.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2804    0.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7804    0.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2804    0.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7804    0.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2804   -0.0017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7804   -0.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804   -0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7805   -0.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7195   -0.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195   -0.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7195   -0.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2195   -0.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7195   -0.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2195   -0.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.2195   -0.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7195   -0.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2195   -0.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7195   -0.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2195   -0.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.2759    1.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7804    0.0387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7849   -1.4703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7759    1.5297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2759    1.5252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 43 42  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 44 43  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  5  7  1  0
M  END
$$$$

     RDKit          2D

  8  7  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0
  2  3  1  0
  2  7  2  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  1  8  1  0
M  END
$$$$

     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
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   -1.5000   -0.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
M  END
$$$$

     RDKit          2D

  8  7  0  0  1  0  0  0  0  0999 V2000
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   -0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2500    0.0000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.5000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7500    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
M  END
$$$$

     RDKit          2D

  6  5  0  0  0  0  0  0  0  0999 V2000
   -0.5000    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  3  0
M  END
$$$$

     RDKit          2D

 13 12  0  0  0  0  0  0  0  0999 V2000
    1.1903    2.1604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8687    0.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5609    0.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9905   -0.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9768   -0.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0848   -1.3268    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9657   -1.4238    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9878    0.7923    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1068   -1.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0149    1.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446    1.2168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5364   -1.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4201   -0.6669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  5  1  0
  3  4  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  3  9  1  0
  3 10  1  0
  4 11  1  0
  4 12  1  0
  4 13  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    3.8036    0.4502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3810   -0.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9585   -0.5013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6592   -1.9712    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1648    0.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345    1.9626    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5874    0.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0099   -0.4587    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0631    1.4396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1116   -1.4055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    2.6300    1.7009    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8218    0.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0135   -0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7037   -2.1581    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4850   -0.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1751    0.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8653    1.9054    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2932   -2.0218    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -0.1166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1566    1.2638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  3  5  2  3
  5  6  1  0
  5  8  1  0
  6  7  1  0
  6  9  1  0
  6 10  1  0
M  END
$$$$

     RDKit          2D

 11 11  0  0  0  0  0  0  0  0999 V2000
   -1.2146   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2146    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281    1.6317    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2120    1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755    2.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2084    1.0037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2084   -1.0037    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2120   -1.2135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755   -2.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281   -1.6317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  2  0
  1 11  1  0
M  END
$$$$

     RDKit          2D

 12 11  0  0  0  0  0  0  0  0999 V2000
   -2.5981    1.3750    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    1.9240    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -0.6740    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -0.6740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -2.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -2.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  2  3
  6  8  1  0
  6  9  1  0
  6 10  1  0
  7 11  1  0
  7 12  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
    1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990    0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981    0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490   -1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490    1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490   -1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  7  2  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
M  END
$$$$

     RDKit          2D

 10  9  0  0  0  0  0  0  0  0999 V2000
   -0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0490    1.1490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5490   -1.4490    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5981   -0.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5981   -0.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0490    1.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5490   -1.4490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  6  1  0
  3  4  1  0
  3  5  1  0
  6  7  1  0
  3  8  1  0
  6  9  1  0
  6 10  1  0
M  END
$$$$

     RDKit          2D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.0625    0.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0941   -0.5591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1549   -2.0383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4996   -0.0351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9051    0.4889    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680   -0.1279    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8135    1.8753    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  1  6  1  0
  1  7  1  0
  2  3  1  0
  2  4  1  0
  4  5  3  0
M  END
$$$$

     RDKit          2D

 40 39  0  0  0  0  0  0  0  0999 V2000
    0.0000    8.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    7.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0000    4.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2990   -9.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000   -4.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5000   -7.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990   -9.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
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  7 28  1  0
  7 29  1  0
  8 30  1  0
  8 31  1  0
  9 32  1  0
  9 33  1  0
 10 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 13 40  1  0
M  END
$$$$

     RDKit          2D

 41 40  0  0  0  0  0  0  0  0999 V2000
    9.7660    1.5914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0508    0.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

     RDKit          2D

 41 40  0  0  0  0  0  0  0  0999 V2000
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  4  5  1  0
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M  END
$$$$

     RDKit          2D

 34 33  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 35 34  0  0  0  0  0  0  0  0999 V2000
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M  END
$$$$

     RDKit          2D

 35 34  0  0  0  0  0  0  0  0999 V2000
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   -5.9657   -1.5631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0345    1.4361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5342    1.4017    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4653   -1.5975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9993   -0.1323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
M  END
$$$$
