15650
     RDKit          3D

 58 61  0  0  1  0            999 V2000
    8.6923    9.0523   24.9287 C   0  0  0  0  0  0
    9.9808    9.0175   25.5093 C   0  0  0  0  0  0
   10.1037    8.7395   26.8899 C   0  0  0  0  0  0
    8.9575    8.5219   27.6792 C   0  0  0  0  0  0
    7.6790    8.5531   27.0916 C   0  0  0  0  0  0
    7.5443    8.8082   25.7134 C   0  0  0  0  0  0
   11.2073    9.2407   24.6252 C   0  0  0  0  0  0
    6.2659    8.7787   25.1097 N   0  0  0  0  0  0
    5.1184    9.5006   25.3935 C   0  0  0  0  0  0
    4.1099    9.0646   24.5796 C   0  0  0  0  0  0
    4.7470    8.0774   23.7767 C   0  0  0  0  0  0
    6.0268    7.9126   24.0954 N   0  0  0  0  0  0
    4.9601   10.5808   26.3969 C   0  0  0  0  0  0
    3.8707   10.7677   26.9480 O   0  0  0  0  0  0
    6.0250   11.3848   26.5569 N   0  0  0  0  0  0
    6.1846   12.4879   27.4297 C   0  0  0  0  0  0
    5.5334   12.5910   28.6816 C   0  0  0  0  0  0
    5.7658   13.7080   29.5071 C   0  0  0  0  0  0
    6.6617   14.7233   29.1140 C   0  0  0  0  0  0
    7.3047   14.6170   27.8611 C   0  0  0  0  0  0
    6.8866   15.8959   29.9749 C   0  0  0  0  0  0
    6.0057   16.9917   29.8295 C   0  0  0  0  0  0
    6.1244   18.1347   30.6403 C   0  0  0  0  0  0
    7.1253   18.1965   31.6259 C   0  0  0  0  0  0
    8.0126   17.1183   31.7844 C   0  0  0  0  0  0
    7.9128   15.9781   30.9572 C   0  0  0  0  0  0
   12.3085    9.9339   25.3134 N   0  3  0  0  0  0
    4.1667    7.2580   22.6655 C   0  0  0  0  0  0
    9.0748   14.6318   31.2877 S   0  0  0  0  0  0
    8.1644   13.5026   32.3864 C   0  0  0  0  0  0
    9.3909   13.9051   30.0480 O   0  0  0  0  0  0
   10.2046   15.1756   32.0649 O   0  0  0  0  0  0
    7.0783   13.5034   27.0317 C   0  0  0  0  0  0
    8.5754    9.2435   23.8711 H   0  0  0  0  0  0
   11.0730    8.6828   27.3651 H   0  0  0  0  0  0
    9.0679    8.3173   28.7354 H   0  0  0  0  0  0
    6.8029    8.3615   27.6921 H   0  0  0  0  0  0
   11.5931    8.2696   24.2815 H   0  0  0  0  0  0
   10.9258    9.8521   23.7552 H   0  0  0  0  0  0
    3.0890    9.4190   24.5511 H   0  0  0  0  0  0
    6.9333   11.2200   25.9587 H   0  0  0  0  0  0
    4.8563   11.8234   29.0276 H   0  0  0  0  0  0
    5.2459   13.7847   30.4519 H   0  0  0  0  0  0
    7.9860   15.3919   27.5366 H   0  0  0  0  0  0
    5.2258   16.9484   29.0820 H   0  0  0  0  0  0
    5.4388   18.9597   30.5132 H   0  0  0  0  0  0
    7.2113   19.0698   32.2574 H   0  0  0  0  0  0
    8.7731   17.1668   32.5494 H   0  0  0  0  0  0
   13.1530   10.0593   24.6198 H   0  0  0  0  0  0
   12.6313    9.3389   26.1804 H   0  0  0  0  0  0
    4.9407    6.5900   22.2597 H   0  0  0  0  0  0
    3.8036    7.9246   21.8694 H   0  0  0  0  0  0
    3.3296    6.6576   23.0512 H   0  0  0  0  0  0
    8.8036   12.6444   32.6413 H   0  0  0  0  0  0
    7.2578   13.1457   31.8757 H   0  0  0  0  0  0
    7.8814   14.0351   33.3064 H   0  0  0  0  0  0
    7.5892   13.4429   26.0805 H   0  0  0  0  0  0
   11.9640   10.9214   25.6541 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  2  0  0  0
  3 35  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  8  1  0  0  0
  7 27  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 40  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
 16 33  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 21  1  0  0  0
 20 33  2  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 48  1  0  0  0
 26 29  1  0  0  0
 27 49  1  0  0  0
 27 50  1  0  0  0
 27 58  1  0  0  0
 28 51  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
 29 30  1  0  0  0
 29 31  2  0  0  0
 29 32  2  0  0  0
 30 54  1  0  0  0
 30 55  1  0  0  0
 30 56  1  0  0  0
 33 57  1  0  0  0
M  CHG  1  27   1
M  END

$$$$
16088 
     RDKit          3D

 49 51  0  0  1  0            999 V2000
   10.7940   12.7699   21.0664 N   0  0  0  0  0  0
   14.3368   10.3329   23.7161 C   0  0  0  0  0  0
   14.3104   10.6605   25.0838 C   0  0  0  0  0  0
   15.5254   10.8697   25.7700 C   0  0  0  0  0  0
   16.7615   10.7488   25.0785 C   0  0  0  0  0  0
   16.7664   10.4480   23.7017 C   0  0  0  0  0  0
   15.5534   10.2484   23.0177 C   0  0  0  0  0  0
   15.5185   11.1992   27.1432 C   0  0  0  0  0  0
   16.7340   11.3711   27.8312 C   0  0  0  0  0  0
   17.9587   11.2445   27.1456 C   0  0  0  0  0  0
   17.9713   10.9444   25.7701 C   0  0  0  0  0  0
   10.1024   12.8039   19.7842 C   0  0  0  0  0  0
   10.8784   12.0813   18.6985 C   0  0  0  0  0  0
   11.3542   12.7604   17.5574 C   0  0  0  0  0  0
   12.1418   12.0769   16.6079 C   0  0  0  0  0  0
   12.4643   10.7177   16.8048 C   0  0  0  0  0  0
   11.9843   10.0320   17.9438 C   0  0  0  0  0  0
   11.1807   10.7168   18.8777 C   0  0  0  0  0  0
   12.3018    8.6254   18.1693 C   0  0  0  0  0  0
   12.6918    8.2024   19.3710 N   0  0  0  0  0  0
   12.1785    7.7464   17.1739 N   0  3  0  0  0  0
   12.0546   13.1450   21.2972 C   0  0  0  0  0  0
   12.5590   12.8252   22.6916 C   0  0  0  0  0  0
   11.9934   11.5722   23.2146 N   0  0  3  0  0  0
   12.7957   10.1093   22.8381 S   0  0  0  0  0  0
   12.0345    9.0350   23.4914 O   0  0  0  0  0  0
   13.0375   10.0558   21.3863 O   0  0  0  0  0  0
   12.7726   13.6965   20.4673 O   0  0  0  0  0  0
   10.2709   12.4083   21.9640 H   0  0  0  0  0  0
   13.3681   10.7486   25.6049 H   0  0  0  0  0  0
   17.7018   10.3705   23.1658 H   0  0  0  0  0  0
   15.5467   10.0277   21.9610 H   0  0  0  0  0  0
   14.5861   11.3169   27.6806 H   0  0  0  0  0  0
   16.7253   11.6063   28.8849 H   0  0  0  0  0  0
   18.8877   11.3828   27.6782 H   0  0  0  0  0  0
   18.9159   10.8639   25.2525 H   0  0  0  0  0  0
    9.1203   12.3186   19.8843 H   0  0  0  0  0  0
    9.9647   13.8488   19.4694 H   0  0  0  0  0  0
   11.1496   13.8148   17.4225 H   0  0  0  0  0  0
   12.5133   12.6110   15.7387 H   0  0  0  0  0  0
   13.1027   10.2209   16.0888 H   0  0  0  0  0  0
   10.8200   10.2113   19.7607 H   0  0  0  0  0  0
   12.9286    7.1400   19.5300 H   0  0  0  0  0  0
   12.7769    8.9155   20.2042 H   0  0  0  0  0  0
   12.4177    6.6862   17.3437 H   0  0  0  0  0  0
   13.6540   12.7226   22.6708 H   0  0  0  0  0  0
   12.2798   13.6382   23.3780 H   0  0  0  0  0  0
   11.1835   11.6027   23.9583 H   0  0  0  0  0  0
   11.8377    8.0815   16.1832 H   0  0  0  0  0  0
  1 12  1  0  0  0
  1 22  1  0  0  0
  1 29  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 11  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  2  0  0  0
 10 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 40  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 19 21  2  0  0  0
 20 43  1  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 28  2  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 27  2  0  0  0
M  CHG  1  21   1
M  END

$$$$
1167 
     RDKit          3D

 53 55  0  0  1  0            999 V2000
    4.1830   -4.3220   15.0097 C   0  0  0  0  0  0
    5.5576   -4.2144   15.3057 C   0  0  0  0  0  0
    6.4255   -5.2718   14.9424 C   0  0  0  0  0  0
    5.9165   -6.3978   14.2591 C   0  0  0  0  0  0
    4.5313   -6.5239   13.9970 C   0  0  0  0  0  0
    3.6680   -5.4656   14.3760 C   0  0  0  0  0  0
    3.9704   -7.7921   13.4253 C   0  0  0  0  0  0
    4.6125   -8.3431   12.3757 N   0  0  0  0  0  0
    3.0026   -8.3121   13.9687 O   0  0  0  0  0  0
    4.2587   -9.6178   11.7290 C   0  0  0  0  0  0
    4.9688  -10.8388   12.3812 C   0  0  0  0  0  0
    4.0780  -11.9392   12.6786 O   0  0  0  0  0  0
    3.5951  -12.1118   13.9691 C   0  0  0  0  0  0
    3.7432  -11.1318   14.9789 C   0  0  0  0  0  0
    3.2214  -11.3245   16.2731 C   0  0  0  0  0  0
    2.5597  -12.5364   16.5973 C   0  0  0  0  0  0
    2.4144  -13.5292   15.6047 C   0  0  0  0  0  0
    2.9235  -13.3139   14.3022 C   0  0  0  0  0  0
    3.3822  -10.2425   17.2378 C   0  0  0  0  0  0
    3.3335   -8.9708   16.8284 N   0  0  0  0  0  0
    6.0342   -3.0057   16.0671 C   0  0  0  0  0  0
    5.5376   -2.7778   17.1746 O   0  0  0  0  0  0
    6.9406   -2.1770   15.4852 N   0  0  0  0  0  0
    7.3200   -0.8947   16.0745 C   0  0  0  0  0  0
    8.0417   -0.1125   14.9680 C   0  0  0  0  0  0
    8.4781   -1.1533   13.9429 C   0  0  0  0  0  0
    7.5656   -2.3590   14.1675 C   0  0  0  0  0  0
    3.5244   -3.5131   15.3014 H   0  0  0  0  0  0
    7.4703   -5.2101   15.2135 H   0  0  0  0  0  0
    6.5849   -7.2078   13.9984 H   0  0  0  0  0  0
    2.6003   -5.5346   14.2277 H   0  0  0  0  0  0
    5.4657   -7.7563   12.0046 H   0  0  0  0  0  0
    3.1732   -9.7788   11.8053 H   0  0  0  0  0  0
    4.5507   -9.5847   10.6690 H   0  0  0  0  0  0
    5.7433  -11.2198   11.6993 H   0  0  0  0  0  0
    5.4343  -10.5293   13.3285 H   0  0  0  0  0  0
    4.2674  -10.2134   14.7690 H   0  0  0  0  0  0
    2.1502  -12.6923   17.5923 H   0  0  0  0  0  0
    1.9048  -14.4491   15.8535 H   0  0  0  0  0  0
    2.8008  -14.0831   13.5523 H   0  0  0  0  0  0
    3.7315   -9.7033   19.2431 H   0  0  0  0  0  0
    3.4547   -8.1540   17.5552 H   0  0  0  0  0  0
    3.1724   -8.7412   15.7648 H   0  0  0  0  0  0
    6.4168   -0.3638   16.4100 H   0  0  0  0  0  0
    7.9839   -1.0683   16.9342 H   0  0  0  0  0  0
    7.3498    0.6190   14.5250 H   0  0  0  0  0  0
    8.9073    0.4141   15.3961 H   0  0  0  0  0  0
    8.3578   -0.7427   12.9295 H   0  0  0  0  0  0
    9.5338   -1.4128   14.1105 H   0  0  0  0  0  0
    8.1448   -3.2941   14.1624 H   0  0  0  0  0  0
    6.7843   -2.4074   13.3946 H   0  0  0  0  0  0
    3.6104  -10.5200   18.5162 N   0  3  0  0  0  0
    3.6783  -11.5664   18.8483 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7  9  2  0  0  0
  8 10  1  0  0  0
  8 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 52  2  0  0  0
 20 42  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 23  1  0  0  0
 23 24  1  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
 27 50  1  0  0  0
 27 51  1  0  0  0
 41 52  1  0  0  0
 52 53  1  0  0  0
M  CHG  1  52   1
M  END

$$$$
15722 
     RDKit          3D

 71 75  0  0  1  0            999 V2000
    6.1110    2.1918   21.6845 C   0  0  0  0  0  0
    6.9042    3.2761   21.2380 C   0  0  0  0  0  0
    6.8862    4.5028   21.9393 C   0  0  0  0  0  0
    5.9919    4.6278   22.9918 C   0  0  0  0  0  0
    5.1919    3.5495   23.4159 C   0  0  0  0  0  0
    5.2488    2.3052   22.7967 C   0  0  0  0  0  0
    5.6573    5.7165   23.7947 N   0  0  0  0  0  0
    4.7222    5.3444   24.7100 C   0  0  0  0  0  0
    4.4316    4.0345   24.4804 N   0  0  0  0  0  0
    3.4697    3.1236   25.1157 C   0  0  0  0  0  0
    4.1368    6.2360   25.7555 C   0  0  0  0  0  0
    5.0965    7.1962   26.2896 N   0  0  0  0  0  0
    4.8127    8.2159   27.1243 C   0  0  0  0  0  0
    3.4842    8.5320   27.4935 C   0  0  0  0  0  0
    3.2203    9.5934   28.3807 C   0  0  0  0  0  0
    4.2776   10.3645   28.9089 C   0  0  0  0  0  0
    5.6047   10.0615   28.5318 C   0  0  0  0  0  0
    5.8688    8.9911   27.6506 C   0  0  0  0  0  0
    7.7188    3.1548   19.9769 C   0  0  0  0  0  0
    6.9017    3.6288   18.7617 C   0  0  0  0  0  0
    6.7836    4.8579   18.4303 N   0  0  0  0  0  0
    6.2469    2.5531   17.9748 C   0  0  0  0  0  0
    7.4826    5.7472   19.2742 O   0  0  0  0  0  0
    7.1452    7.0879   18.9127 C   0  0  0  0  0  0
    6.0472    7.6493   19.8280 C   0  0  0  0  0  0
    6.0235    7.4145   21.0451 O   0  0  0  0  0  0
    5.1767    8.4303   19.1603 O   0  0  0  0  0  0
    5.2818    1.8206   18.5818 N   0  0  0  0  0  0
    4.6392    0.8807   17.8576 C   0  0  0  0  0  0
    4.9585    0.5942   16.5222 C   0  0  0  0  0  0
    5.9859    1.3219   15.9015 C   0  0  0  0  0  0
    6.6349    2.3236   16.6405 C   0  0  0  0  0  0
    8.6950    1.9977   19.8408 C   0  0  0  0  0  0
    9.2165    3.3966   20.0393 C   0  0  0  0  0  0
    4.0676    9.0363   19.8136 C   0  0  0  0  0  0
    2.7664    8.3178   19.4374 C   0  0  0  0  0  0
    3.9925   11.4514   29.8461 C   0  0  0  0  0  0
    3.1591   11.2510   30.8660 N   0  3  0  0  0  0
    4.5549   12.6495   29.6921 N   0  0  0  0  0  0
    6.1322    1.2615   21.1283 H   0  0  0  0  0  0
    7.4883    5.3346   21.6005 H   0  0  0  0  0  0
    4.6372    1.4743   23.1160 H   0  0  0  0  0  0
    2.9516    3.6485   25.9318 H   0  0  0  0  0  0
    4.0035    2.2515   25.5213 H   0  0  0  0  0  0
    2.7339    2.7888   24.3697 H   0  0  0  0  0  0
    3.2996    6.8052   25.3252 H   0  0  0  0  0  0
    3.7723    5.6262   26.5953 H   0  0  0  0  0  0
    6.1592    7.1223   26.0152 H   0  0  0  0  0  0
    2.6461    7.9656   27.1130 H   0  0  0  0  0  0
    2.1942    9.8139   28.6430 H   0  0  0  0  0  0
    6.4315   10.6312   28.9332 H   0  0  0  0  0  0
    6.8962    8.7745   27.3890 H   0  0  0  0  0  0
    8.0365    7.7266   19.0007 H   0  0  0  0  0  0
    6.7813    7.1073   17.8748 H   0  0  0  0  0  0
    3.8524    0.3366   18.3591 H   0  0  0  0  0  0
    4.4206   -0.1715   15.9793 H   0  0  0  0  0  0
    6.2651    1.1216   14.8763 H   0  0  0  0  0  0
    7.4207    2.9121   16.1870 H   0  0  0  0  0  0
    8.5154    1.2698   20.6458 H   0  0  0  0  0  0
    8.5509    1.5091   18.8659 H   0  0  0  0  0  0
    9.5113    4.0818   19.2309 H   0  0  0  0  0  0
    9.4758    3.8426   21.0108 H   0  0  0  0  0  0
    4.2069    8.9773   20.9032 H   0  0  0  0  0  0
    3.9946   10.0911   19.5100 H   0  0  0  0  0  0
    1.9205    8.7986   19.9506 H   0  0  0  0  0  0
    2.8287    7.2628   19.7425 H   0  0  0  0  0  0
    2.6165    8.3766   18.3493 H   0  0  0  0  0  0
    2.9452   12.0684   31.5703 H   0  0  0  0  0  0
    4.3316   13.4576   30.4042 H   0  0  0  0  0  0
    5.2424   12.8306   28.8527 H   0  0  0  0  0  0
    2.6850   10.2680   31.0038 H   0  0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6 42  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
 10 43  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 46  1  0  0  0
 11 47  1  0  0  0
 12 13  1  0  0  0
 12 48  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 49  1  0  0  0
 15 16  2  0  0  0
 15 50  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 51  1  0  0  0
 18 52  1  0  0  0
 19 20  1  0  0  0
 19 33  1  0  0  0
 19 34  1  0  0  0
 20 21  2  0  0  0
 20 22  1  0  0  0
 21 23  1  0  0  0
 22 28  2  0  0  0
 22 32  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 24 53  1  0  0  0
 24 54  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 27 35  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 55  1  0  0  0
 30 31  1  0  0  0
 30 56  1  0  0  0
 31 32  2  0  0  0
 31 57  1  0  0  0
 32 58  1  0  0  0
 33 34  1  0  0  0
 33 59  1  0  0  0
 33 60  1  0  0  0
 34 61  1  0  0  0
 34 62  1  0  0  0
 35 36  1  0  0  0
 35 63  1  0  0  0
 35 64  1  0  0  0
 36 65  1  0  0  0
 36 66  1  0  0  0
 36 67  1  0  0  0
 37 38  2  0  0  0
 37 39  1  0  0  0
 38 68  1  0  0  0
 38 71  1  0  0  0
 39 69  1  0  0  0
 39 70  1  0  0  0
M  CHG  1  38   1
M  END

$$$$
151943
     RDKit          3D

 38 41  0  0  1  0            999 V2000
   -0.0900    1.3893    0.1115 C   0  0  0  0  0  0
   -0.0633    0.0102    0.0525 N   0  0  0  0  0  0
    1.0465    2.3264    0.2341 C   0  0  0  0  0  0
   -1.3910   -0.4055   -0.0311 C   0  0  0  0  0  0
   -2.2173    0.6174   -0.0605 N   0  0  0  0  0  0
   -1.4255    1.7392    0.0153 C   0  0  0  0  0  0
    1.0625    3.5171   -0.4668 N   0  0  0  0  0  0
    2.1590    4.2101   -0.2173 C   0  0  0  0  0  0
    1.0065   -0.8856    0.0413 C   0  0  0  0  0  0
    2.3873    5.4223   -0.7931 N   0  0  0  0  0  0
    2.1235    2.1271    1.0669 C   0  0  0  0  0  0
   -1.6412   -1.8079   -0.0853 C   0  0  0  0  0  0
    3.1996    3.4485    0.9421 S   0  0  0  0  0  0
    0.7649   -2.2049   -0.0225 C   0  0  0  0  0  0
   -0.6134   -2.6831   -0.0796 C   0  0  0  0  0  0
    3.5862    6.1774   -0.8465 C   0  0  0  0  0  0
    4.7936    5.6397   -0.5433 N   0  0  0  0  0  0
   -2.0510    3.0809    0.0100 C   0  0  0  0  0  0
    5.8857    6.4366   -0.6000 C   0  0  0  0  0  0
   -0.8115   -4.1669   -0.1357 C   0  0  0  0  0  0
    3.4748    7.5288   -1.1947 C   0  0  0  0  0  0
    5.8510    7.7740   -0.9429 C   0  0  0  0  0  0
    4.6164    8.3263   -1.2443 C   0  0  0  0  0  0
    2.0135   -0.4915    0.0736 H   0  0  0  0  0  0
    1.5705    5.9492   -1.3080 H   0  0  0  0  0  0
    2.3290    1.3050    1.7378 H   0  0  0  0  0  0
   -2.6710   -2.1459   -0.1328 H   0  0  0  0  0  0
    1.5778   -2.9225   -0.0378 H   0  0  0  0  0  0
   -3.1422    2.9764   -0.0818 H   0  0  0  0  0  0
   -1.6654    3.6618   -0.8408 H   0  0  0  0  0  0
   -1.8102    3.6014    0.9486 H   0  0  0  0  0  0
    6.8230    5.9496   -0.3511 H   0  0  0  0  0  0
    0.1674   -4.6684   -0.1192 H   0  0  0  0  0  0
   -1.3433   -4.4311   -1.0617 H   0  0  0  0  0  0
   -1.4041   -4.4908    0.7326 H   0  0  0  0  0  0
    2.5086    7.9687   -1.4257 H   0  0  0  0  0  0
    6.7556    8.3700   -0.9726 H   0  0  0  0  0  0
    4.5373    9.3748   -1.5156 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  6  2  0  0  0
  2  4  1  0  0  0
  2  9  1  0  0  0
  3  7  1  0  0  0
  3 11  2  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6 18  1  0  0  0
  7  8  2  0  0  0
  8 10  1  0  0  0
  8 13  1  0  0  0
  9 14  2  0  0  0
  9 24  1  0  0  0
 10 16  1  0  0  0
 10 25  1  0  0  0
 11 13  1  0  0  0
 11 26  1  0  0  0
 12 15  2  0  0  0
 12 27  1  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 15 20  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 19  1  0  0  0
 18 29  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
 19 22  2  0  0  0
 19 32  1  0  0  0
 20 33  1  0  0  0
 20 34  1  0  0  0
 20 35  1  0  0  0
 21 23  2  0  0  0
 21 36  1  0  0  0
 22 23  1  0  0  0
 22 37  1  0  0  0
 23 38  1  0  0  0
M  END

$$$$
195476
     RDKit          3D

 55 60  0  0  1  0            999 V2000
    0.0949    1.4200   -1.2552 C   0  0  0  0  0  0
    2.2071    1.1336   -0.2936 C   0  0  0  0  0  0
    2.0664   -0.0220   -1.0495 C   0  0  0  0  0  0
    0.5917   -0.0799   -1.9006 S   0  0  0  0  0  0
    1.0533    1.9742   -0.4338 C   0  0  0  0  0  0
   -2.4120    1.6914   -0.7399 C   0  0  0  0  0  0
   -1.1914    1.9508   -1.6502 C   0  0  0  0  0  0
    2.9553   -1.0272   -1.1542 N   0  0  0  0  0  0
    3.4092    1.2567    0.4337 C   0  0  0  0  0  0
    4.0938   -0.8687   -0.4385 C   0  0  0  0  0  0
    4.3701    0.2385    0.3665 C   0  0  0  0  0  0
   -3.0978    3.0485   -0.4368 C   0  0  0  0  0  0
   -3.4115    0.7986   -1.5183 C   0  0  0  0  0  0
   -2.0972    1.0007    0.6110 C   0  0  0  0  0  0
   -3.3829    0.7860    1.4293 C   0  0  1  0  0  0
   -4.3859    2.8401    0.3772 C   0  0  2  0  0  0
   -4.7002    0.5861   -0.7062 C   0  0  1  0  0  0
   -1.3245    2.5835   -2.6991 O   0  0  0  0  0  0
    0.9210    3.1730    0.1738 N   0  0  0  0  0  0
   -4.0403    2.1474    1.7043 C   0  0  0  0  0  0
   -4.3525   -0.0954    0.6264 C   0  0  0  0  0  0
   -5.3512    1.9503   -0.4236 C   0  0  0  0  0  0
    5.0832   -2.0010   -0.5662 C   0  0  0  0  0  0
    5.6488    0.3708    1.1508 C   0  0  0  0  0  0
    5.8025   -0.7031    2.2279 C   0  0  0  0  0  0
    5.3076   -2.7505    0.7460 C   0  0  0  0  0  0
    6.2814   -2.0522    1.6941 C   0  0  0  0  0  0
    3.5829    2.1374    1.0463 H   0  0  0  0  0  0
   -2.4119    3.6848    0.1418 H   0  0  0  0  0  0
   -3.3531    3.5496   -1.3822 H   0  0  0  0  0  0
   -3.6690    1.2821   -2.4722 H   0  0  0  0  0  0
   -2.9513   -0.1807   -1.7161 H   0  0  0  0  0  0
   -1.6299    0.0228    0.4227 H   0  0  0  0  0  0
   -1.4081    1.6304    1.1930 H   0  0  0  0  0  0
   -3.1411    0.2939    2.3829 H   0  0  0  0  0  0
   -4.8588    3.8122    0.5807 H   0  0  0  0  0  0
   -5.3974   -0.0472   -1.2744 H   0  0  0  0  0  0
    1.7270    3.5554    0.8173 H   0  0  0  0  0  0
    0.0072    3.7671    0.0252 H   0  0  0  0  0  0
   -4.9619    1.9987    2.2862 H   0  0  0  0  0  0
   -3.3453    2.7818    2.2740 H   0  0  0  0  0  0
   -3.8811   -1.0683    0.4235 H   0  0  0  0  0  0
   -5.2746   -0.2486    1.2063 H   0  0  0  0  0  0
   -6.2741    1.7972    0.1550 H   0  0  0  0  0  0
   -5.5940    2.4394   -1.3785 H   0  0  0  0  0  0
    4.7159   -2.7271   -1.3064 H   0  0  0  0  0  0
    6.0552   -1.6035   -0.8936 H   0  0  0  0  0  0
    6.5077    0.2854    0.4689 H   0  0  0  0  0  0
    5.6730    1.3507    1.6501 H   0  0  0  0  0  0
    6.5372   -0.3699    2.9757 H   0  0  0  0  0  0
    4.8322   -0.8729    2.7175 H   0  0  0  0  0  0
    4.3502   -2.8534    1.2778 H   0  0  0  0  0  0
    5.7177   -3.7487    0.5327 H   0  0  0  0  0  0
    7.2202   -1.9140    1.1378 H   0  0  0  0  0  0
    6.4516   -2.7400    2.5355 H   0  0  0  0  0  0
  1  4  1  0  0  0
  1  5  2  0  0  0
  1  7  1  0  0  0
  2  5  1  0  0  0
  2  9  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  6 13  1  0  0  0
  6 14  1  0  0  0
  7 18  2  0  0  0
  8 10  2  0  0  0
  9 11  2  0  0  0
  9 28  1  0  0  0
 10 23  1  0  0  0
 10 11  1  0  0  0
 11 24  1  0  0  0
 12 16  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 17  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 20  1  0  0  0
 15 21  1  0  0  0
 15 35  1  0  0  0
 16 20  1  0  0  0
 16 22  1  0  0  0
 16 36  1  0  0  0
 17 22  1  0  0  0
 17 21  1  0  0  0
 17 37  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
 22 44  1  0  0  0
 22 45  1  0  0  0
 23 26  1  0  0  0
 23 46  1  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
 25 27  1  0  0  0
 25 50  1  0  0  0
 25 51  1  0  0  0
 26 27  1  0  0  0
 26 52  1  0  0  0
 26 53  1  0  0  0
 27 54  1  0  0  0
 27 55  1  0  0  0
M  END

$$$$
702834
     RDKit          3D

 46 49  0  0  1  0            999 V2000
   -0.1750    1.4007   -0.0752 C   0  0  0  0  0  0
    1.0883   -0.6048   -0.2231 C   0  0  0  0  0  0
   -0.2184    0.0146   -0.1315 C   0  0  0  0  0  0
    2.0647    0.3797   -0.1905 C   0  0  0  0  0  0
    1.4413    1.9563   -0.1016 S   0  0  0  0  0  0
    3.8345   -1.0614   -0.3025 C   0  0  0  0  0  0
    1.5532   -1.9514   -0.3185 C   0  0  0  0  0  0
    2.9585   -2.1671   -0.3185 C   0  0  0  0  0  0
   -1.2991    2.3358    0.0081 C   0  0  0  0  0  0
    5.2243   -1.2767   -0.3642 N   0  0  0  0  0  0
   -2.4729    1.9607    0.0354 O   0  0  0  0  0  0
   -0.9562    3.6840    0.0540 N   0  0  0  0  0  0
    7.9849   -1.0591   -0.8470 O   0  0  0  0  0  0
   -1.9465    4.6531    0.1335 N   0  0  0  0  0  0
    0.6003   -3.1282   -0.3655 C   0  0  0  0  0  0
    3.5212   -3.5770   -0.3417 C   0  0  0  0  0  0
    6.0480   -0.3888    0.4629 C   0  0  0  0  0  0
    5.7537   -1.4929   -1.7165 C   0  0  0  0  0  0
    7.1964   -1.9821   -1.6063 C   0  0  0  0  0  0
    7.4771   -0.9270    0.4853 C   0  0  0  0  0  0
    1.2376   -4.4718   -0.6996 C   0  0  0  0  0  0
    2.5234   -4.6470    0.0841 C   0  0  0  0  0  0
   -1.3865   -1.7633   -0.1383 H   0  0  0  0  0  0
    0.1027    3.9806    0.0271 H   0  0  0  0  0  0
   -1.4826    5.6501    0.1595 H   0  0  0  0  0  0
   -2.6046    4.5777   -0.7447 H   0  0  0  0  0  0
    0.1171   -3.2481    0.6154 H   0  0  0  0  0  0
   -0.1671   -2.9482   -1.1327 H   0  0  0  0  0  0
    3.8482   -3.8245   -1.3624 H   0  0  0  0  0  0
    4.3792   -3.6407    0.3437 H   0  0  0  0  0  0
    6.0371    0.6248    0.0358 H   0  0  0  0  0  0
    5.6434   -0.3602    1.4854 H   0  0  0  0  0  0
    5.1422   -2.2472   -2.2334 H   0  0  0  0  0  0
    5.7220   -0.5476   -2.2782 H   0  0  0  0  0  0
    7.6180   -2.0791   -2.6177 H   0  0  0  0  0  0
    7.2028   -2.9641   -1.1107 H   0  0  0  0  0  0
    7.4806   -1.9104    0.9782 H   0  0  0  0  0  0
    8.1121   -0.2304    1.0524 H   0  0  0  0  0  0
    0.5419   -5.2827   -0.4381 H   0  0  0  0  0  0
    1.4619   -4.5138   -1.7757 H   0  0  0  0  0  0
    2.9452   -5.6427   -0.1175 H   0  0  0  0  0  0
    2.3159   -4.5476    1.1598 H   0  0  0  0  0  0
    3.3944    0.2093   -0.2266 N   0  3  0  0  0  0
   -1.3870   -0.6643   -0.0916 N   0  0  0  0  0  0
   -2.3382   -0.1176   -0.0124 H   0  0  0  0  0  0
    4.0619    1.0830   -0.1942 H   0  0  0  0  0  0
  1  3  2  0  0  0
  1  5  1  0  0  0
  1  9  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2  4  2  0  0  0
  3 44  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  6 10  1  0  0  0
  6  8  1  0  0  0
  6 43  2  0  0  0
  7  8  2  0  0  0
  7 15  1  0  0  0
  8 16  1  0  0  0
  9 11  2  0  0  0
  9 12  1  0  0  0
 10 17  1  0  0  0
 10 18  1  0  0  0
 12 14  1  0  0  0
 12 24  1  0  0  0
 13 19  1  0  0  0
 13 20  1  0  0  0
 14 25  1  0  0  0
 14 26  1  0  0  0
 15 21  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 16 22  1  0  0  0
 16 29  1  0  0  0
 16 30  1  0  0  0
 17 20  1  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 22 41  1  0  0  0
 22 42  1  0  0  0
 23 44  1  0  0  0
 43 46  1  0  0  0
 44 45  1  0  0  0
M  CHG  1  43   1
M  END

$$$$
864993
     RDKit          3D

 59 63  0  0  1  0            999 V2000
    0.0078    1.0026   -0.0709 N   0  0  0  0  0  0
   -0.0809   -0.3433   -0.2394 C   0  0  0  0  0  0
    1.1743   -0.8952   -0.1740 C   0  0  0  0  0  0
    2.0892    0.1880   -0.0321 C   0  0  0  0  0  0
    1.3317    1.3698    0.0273 C   0  0  0  0  0  0
   -1.3703   -1.0601   -0.3973 C   0  0  2  0  0  0
   -1.1526    1.8566    0.1130 C   0  0  0  0  0  0
   -2.4718   -0.3039    0.3444 C   0  0  0  0  0  0
    1.9288    2.6279    0.1836 C   0  0  0  0  0  0
    3.4930    0.2755    0.0763 C   0  0  0  0  0  0
   -5.1841    5.1818   -0.6759 O   0  0  0  0  0  0
   -3.6815    1.9066    0.3547 C   0  0  0  0  0  0
   -6.2414    6.0162   -0.4156 C   0  0  0  0  0  0
   -6.2512    7.2309   -1.1291 C   0  0  0  0  0  0
    1.3893   -2.3704   -0.1875 C   0  0  0  0  0  0
   -3.8857    3.1902   -0.4487 C   0  0  2  0  0  0
    3.3233    2.6855    0.2786 C   0  0  0  0  0  0
    4.1069    1.5281    0.2405 C   0  0  0  0  0  0
   -5.1412    3.9317    0.0181 C   0  0  0  0  0  0
   -1.1772   -2.5113    0.0870 C   0  0  0  0  0  0
   -4.0392    2.8382   -1.8259 O   0  0  0  0  0  0
    0.0920   -3.1358   -0.5409 C   0  0  0  0  0  0
   -7.2739    5.7384    0.4876 C   0  0  0  0  0  0
   -5.1584    7.5633   -2.1073 C   0  0  0  0  0  0
   -7.2963    8.1436   -0.9227 C   0  0  0  0  0  0
    5.6023    1.6261    0.3171 C   0  0  0  0  0  0
   -8.3196    7.8572   -0.0211 C   0  0  0  0  0  0
   -8.3077    6.6568    0.6822 C   0  0  0  0  0  0
   -1.6622   -1.0768   -1.4577 H   0  0  0  0  0  0
   -1.1789    2.2210    1.1506 H   0  0  0  0  0  0
   -1.0905    2.7128   -0.5748 H   0  0  0  0  0  0
   -3.4431   -0.7786    0.1413 H   0  0  0  0  0  0
   -2.2701   -0.3295    1.4255 H   0  0  0  0  0  0
    1.3370    3.5364    0.2276 H   0  0  0  0  0  0
    4.0954   -0.6284    0.0331 H   0  0  0  0  0  0
   -3.5201    2.1584    1.4133 H   0  0  0  0  0  0
   -4.5734    1.2697    0.2612 H   0  0  0  0  0  0
    2.1544   -2.6226   -0.9365 H   0  0  0  0  0  0
    1.7260   -2.7010    0.8062 H   0  0  0  0  0  0
   -3.0046    3.8441   -0.3704 H   0  0  0  0  0  0
    3.7979    3.6585    0.3896 H   0  0  0  0  0  0
   -5.0990    4.1153    1.1019 H   0  0  0  0  0  0
   -6.0432    3.3489   -0.2202 H   0  0  0  0  0  0
   -1.0729   -2.5216    1.1820 H   0  0  0  0  0  0
   -2.0501   -3.1142   -0.2039 H   0  0  0  0  0  0
   -4.1985    3.6232   -2.5798 H   0  0  0  0  0  0
   -0.0457   -3.1396   -1.6322 H   0  0  0  0  0  0
    0.1665   -4.1712   -0.1772 H   0  0  0  0  0  0
   -7.3064    4.8158    1.0584 H   0  0  0  0  0  0
   -5.3531    8.5498   -2.5533 H   0  0  0  0  0  0
   -5.1317    6.8013   -2.9001 H   0  0  0  0  0  0
   -4.1911    7.5820   -1.5840 H   0  0  0  0  0  0
   -7.3201    9.0861   -1.4644 H   0  0  0  0  0  0
    5.8947    2.6788    0.4452 H   0  0  0  0  0  0
    6.0435    1.2334   -0.6109 H   0  0  0  0  0  0
    5.9649    1.0380    1.1731 H   0  0  0  0  0  0
   -9.1247    8.5700    0.1320 H   0  0  0  0  0  0
   -9.1054    6.4332    1.3853 H   0  0  0  0  0  0
   -2.4746    1.1416   -0.1586 N   0  0  1  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1  7  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3 15  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4 10  1  0  0  0
  5  9  1  0  0  0
  6 20  1  0  0  0
  6  8  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  7 59  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  8 59  1  0  0  0
  9 17  2  0  0  0
  9 34  1  0  0  0
 10 18  2  0  0  0
 10 35  1  0  0  0
 11 19  1  0  0  0
 11 13  1  0  0  0
 12 16  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 12 59  1  0  0  0
 13 14  1  0  0  0
 13 23  2  0  0  0
 14 24  1  0  0  0
 14 25  2  0  0  0
 15 22  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 19  1  0  0  0
 16 21  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 18 26  1  0  0  0
 19 42  1  0  0  0
 19 43  1  0  0  0
 20 22  1  0  0  0
 20 44  1  0  0  0
 20 45  1  0  0  0
 21 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 28  1  0  0  0
 23 49  1  0  0  0
 24 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 25 27  1  0  0  0
 25 53  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
 26 56  1  0  0  0
 27 28  2  0  0  0
 27 57  1  0  0  0
 28 58  1  0  0  0
M  END

$$$$
891856
     RDKit          3D

 63 65  0  0  1  0            999 V2000
   -0.3423    2.1360    1.7439 C   0  0  0  0  0  0
   -4.1925   -3.1409    1.1811 N   0  0  0  0  0  0
   -0.0920    0.9253    2.4035 N   0  0  0  0  0  0
   -2.2646   -2.0460    1.4200 C   0  0  0  0  0  0
   -3.5088   -2.0115    0.8223 C   0  0  0  0  0  0
    1.2347    0.3875    4.4411 C   0  0  0  0  0  0
    1.2171    0.5071    2.9373 C   0  0  0  0  0  0
   -2.2018   -3.2611    2.1770 C   0  0  0  0  0  0
   -3.4201   -3.9216    2.0087 C   0  0  0  0  0  0
    0.8237    3.1166    1.6472 C   0  0  0  0  0  0
   -1.4338    2.4042    1.2351 O   0  0  0  0  0  0
    1.5462   -0.8299    5.0578 C   0  0  0  0  0  0
   -1.1952   -1.0098    1.2993 C   0  0  0  0  0  0
   -1.1854   -0.0531    2.4943 C   0  0  0  0  0  0
    1.6423    6.1643   -0.5708 C   0  0  0  0  0  0
    1.7114    5.3043    0.7246 C   0  0  0  0  0  0
    0.4338    4.5083    1.1007 C   0  0  2  0  0  0
    1.8224   -1.9084    4.3093 F   0  0  0  0  0  0
    0.9542    1.4918    5.2574 C   0  0  0  0  0  0
   -1.2193   -3.8590    2.9947 C   0  0  0  0  0  0
   -3.7058   -5.1503    2.6153 C   0  0  0  0  0  0
    1.5721   -0.9575    6.4449 C   0  0  0  0  0  0
    0.4886    7.1765   -0.5376 C   0  0  0  0  0  0
    2.9677    6.9438   -0.6973 C   0  0  0  0  0  0
    1.4943    5.2667   -1.8130 C   0  0  0  0  0  0
   -0.3833    5.2697    2.1564 C   0  0  0  0  0  0
    0.9788    1.3712    6.6493 C   0  0  0  0  0  0
   -1.4903   -5.0870    3.6086 C   0  0  0  0  0  0
   -2.7159   -5.7213    3.4200 C   0  0  0  0  0  0
    1.2869    0.1475    7.2424 C   0  0  0  0  0  0
   -5.2131   -3.3084    0.8064 H   0  0  0  0  0  0
   -3.9662   -1.2780    0.1724 H   0  0  0  0  0  0
    1.4851   -0.4759    2.5226 H   0  0  0  0  0  0
    1.9816    1.2455    2.6537 H   0  0  0  0  0  0
    1.2568    3.2710    2.6465 H   0  0  0  0  0  0
    1.5916    2.7080    0.9739 H   0  0  0  0  0  0
   -0.2127   -1.5015    1.2452 H   0  0  0  0  0  0
   -1.3596   -0.4177    0.3869 H   0  0  0  0  0  0
   -1.0692   -0.6488    3.4117 H   0  0  0  0  0  0
   -2.1495    0.4758    2.5203 H   0  0  0  0  0  0
    2.5115    4.5560    0.6256 H   0  0  0  0  0  0
    1.9225    5.9551    1.5860 H   0  0  0  0  0  0
   -0.1893    4.3869    0.2024 H   0  0  0  0  0  0
    0.7100    2.4554    4.8188 H   0  0  0  0  0  0
   -0.2590   -3.3761    3.1520 H   0  0  0  0  0  0
   -4.6602   -5.6453    2.4698 H   0  0  0  0  0  0
    1.8133   -1.9136    6.8989 H   0  0  0  0  0  0
    0.4832    7.7570   -1.4719 H   0  0  0  0  0  0
    0.6224    7.8571    0.3162 H   0  0  0  0  0  0
   -0.4664    6.6407   -0.4333 H   0  0  0  0  0  0
    2.9445    7.5612   -1.6074 H   0  0  0  0  0  0
    3.8061    6.2342   -0.7569 H   0  0  0  0  0  0
    3.0974    7.5917    0.1821 H   0  0  0  0  0  0
    1.4475    5.8942   -2.7153 H   0  0  0  0  0  0
    0.5709    4.6748   -1.7297 H   0  0  0  0  0  0
    2.3588    4.5899   -1.8814 H   0  0  0  0  0  0
   -0.6586    6.2595    1.7632 H   0  0  0  0  0  0
    0.2194    5.3921    3.0684 H   0  0  0  0  0  0
   -1.2956    4.7025    2.3932 H   0  0  0  0  0  0
    0.7566    2.2340    7.2711 H   0  0  0  0  0  0
   -0.7352   -5.5490    4.2390 H   0  0  0  0  0  0
   -2.9069   -6.6749    3.9057 H   0  0  0  0  0  0
    1.3046    0.0570    8.3246 H   0  0  0  0  0  0
  1  3  1  0  0  0
  1 10  1  0  0  0
  1 11  2  0  0  0
  2  5  1  0  0  0
  2  9  1  0  0  0
  2 31  1  0  0  0
  3  7  1  0  0  0
  3 14  1  0  0  0
  4 13  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  6 19  2  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 21  1  0  0  0
 10 17  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 12 18  1  0  0  0
 12 22  2  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 23  1  0  0  0
 15 24  1  0  0  0
 15 25  1  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 16 42  1  0  0  0
 17 26  1  0  0  0
 17 43  1  0  0  0
 19 27  1  0  0  0
 19 44  1  0  0  0
 20 28  2  0  0  0
 20 45  1  0  0  0
 21 29  2  0  0  0
 21 46  1  0  0  0
 22 30  1  0  0  0
 22 47  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 51  1  0  0  0
 24 52  1  0  0  0
 24 53  1  0  0  0
 25 54  1  0  0  0
 25 55  1  0  0  0
 25 56  1  0  0  0
 26 57  1  0  0  0
 26 58  1  0  0  0
 26 59  1  0  0  0
 27 30  2  0  0  0
 27 60  1  0  0  0
 28 29  1  0  0  0
 28 61  1  0  0  0
 29 62  1  0  0  0
 30 63  1  0  0  0
M  END

$$$$
