cxy0367
     RDKit          3D

100112  0  0  1  0  0  0  0  0999 V2000
   15.4547   -0.9906   -2.4700 C   0  0  0  0  0  3  0  0  0  0  0  0
   17.3563   -0.2031   -1.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2883    0.6092   -0.2969 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.2256   -0.6146   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5373   -0.1640   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2755    0.9240    1.2107 C   0  0  0  0  0  2  0  0  0  0  0  0
   16.6701    0.1773    1.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0293   -2.0223    0.3133 C   0  0  0  0  0  2  0  0  0  0  0  0
   17.8841    0.6551    1.7601 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.1158   -1.1122    0.6157 C   0  0  0  0  0  3  0  0  0  0  0  0
   13.2593   -0.7900    1.3133 C   0  0  0  0  0  3  0  0  0  0  0  0
   15.4439    0.1441    1.8152 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9990   -0.2424   -1.5888 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6940    0.9923   -2.0194 C   0  0  0  0  0  3  0  0  0  0  0  0
   11.0834    0.1453    1.4461 C   0  0  0  0  0  3  0  0  0  0  0  0
   12.4193    0.0593    2.2168 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1363    1.3321   -0.9400 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.1723    0.1040   -0.4296 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.6976    1.8863   -0.8719 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.9305    2.3605   -0.2025 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.4145    1.1331    1.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068   -0.0445    0.7614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0558    1.2518    2.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4212   -1.0143    2.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5046   -1.8869    1.6707 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.1719   -1.4114    0.3323 C   0  0  0  0  0  2  0  0  0  0  0  0
   18.6797    0.1212   -1.5230 N   0  0  0  0  0  2  0  0  0  0  0  0
   16.7597   -0.6144   -2.5380 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8323   -0.0684   -0.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6717   -1.0998   -1.3996 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3680   -1.9860   -3.0238 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4594   -1.2889   -1.3408 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.8218   -2.4496   -0.1620 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4300   -1.5139    0.4451 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8273   -1.3499   -1.3321 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970    1.3993   -3.2044 O   0  0  0  0  0  1  0  0  0  0  0  0
   14.5622   -0.4274    0.9406 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7343    0.1829   -0.4402 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3555    1.9545   -0.0493 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0846    1.2765    0.5638 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2996   -0.4430    3.3828 O   0  0  0  0  0  1  0  0  0  0  0  0
    5.7565    1.3409    0.0639 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1243    3.9414    2.0851 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.4608    2.8033    0.5512 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.8584    2.6744    0.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2007   -1.1537    1.5324 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0252    0.1446    3.1837 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6668    3.2091   -1.5376 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.9654    3.3139   -2.0033 C   0  0  0  0  0  3  0  0  0  0  0  0
  -12.2894    2.1183   -0.7366 C   0  0  0  0  0  3  0  0  0  0  0  0
  -14.8682    2.3285   -1.6218 C   0  0  0  0  0  3  0  0  0  0  0  0
  -13.1932    1.0864   -0.4033 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5507    1.2912   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7274   -2.3319   -2.1173 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.4444   -0.8752   -2.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8967    1.2161   -1.7005 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.8821    2.2702   -1.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9755    2.2121    1.6786 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.3988   -0.2900    0.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6545   -1.2562   -2.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1226   -0.2727   -1.3908 C   0  0  0  0  0  3  0  0  0  0  0  0
   -6.5415    0.0664   -0.8701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0223    3.2113   -0.5249 C   0  0  0  0  0  2  0  0  0  0  0  0
   -9.4717    3.5505    1.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6790    0.8984    1.2404 C   0  0  0  0  0  2  0  0  0  0  0  0
  -15.6837    0.8414    0.1120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750   -0.4382   -0.1060 C   0  0  0  0  0  2  0  0  0  0  0  0
  -13.4722   -1.1961    0.0833 C   0  0  0  0  0  2  0  0  0  0  0  0
  -16.0719   -0.3330    0.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5215   -2.1525    0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7975   -1.6880    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2934   -3.4685   -0.3308 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.8581   -2.5671    0.2700 C   0  0  0  0  0  3  0  0  0  0  0  0
  -15.3787   -4.3476   -0.4632 C   0  0  0  0  0  3  0  0  0  0  0  0
  -16.6193   -3.8988   -0.0867 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3974   -0.1893   -3.6903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8654    1.5613   -1.9389 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9358   -1.3852    1.2029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4304   -0.7847   -1.0811 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2161    4.1623    0.6116 N   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0529   -2.1375   -2.4329 N   0  0  0  0  0  2  0  0  0  0  0  0
   -7.7364    2.3210   -2.3074 N   0  0  0  0  0  2  0  0  0  0  0  0
  -12.6445   -0.1343    0.1908 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0314   -1.0239   -3.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3045   -0.1549    0.0694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4538    4.0907    2.9239 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5409    1.7677    0.7177 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9148    1.3099    1.9356 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7220    0.0081    1.9171 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7751    3.5250   -0.7818 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6631    2.3663   -0.1029 C   0  0  0  0  0  1  0  0  0  0  0  0
    1.6656    2.5514    2.9660 N   0  0  0  0  0  1  0  0  0  0  0  0
    1.5470   -2.0824    2.7210 N   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5040   -0.6431   -0.8772 N   0  0  0  0  0  2  0  0  0  0  0  0
   -1.4742   -3.5245   -1.4103 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.1304   -4.6502   -0.6290 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.8969   -1.4750    0.9466 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2839   -5.4881    0.1070 C   0  0  0  0  0  1  0  0  0  0  0  0
    0.0105   -5.6142   -1.1269 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.0901   -1.5965   -0.0061 C   0  0  0  0  0  2  0  0  0  0  0  0
  1 28  2  0
  1 30  1  0
  2  5  2  0
  2 27  1  0
  2 28  1  0
  3  6  1  0
  3 27  1  0
  4  5  1  0
  4 30  2  0
  4 37  1  0
  5  7  1  0
  6  9  1  0
  7  9  1  0
  7 12  2  0
  8 33  1  0
 10  8  1  0
 10 15  1  0
 10 34  1  0
 11 16  1  0
 11 34  1  0
 11 37  1  0
 12 37  1  0
 13 14  1  0
 13 18  1  0
 13 35  1  0
 14 19  1  0
 14 36  1  0
 15 16  1  0
 15 40  1  0
 16 41  1  0
 17 38  1  0
 17 39  2  0
 18 42  1  0
 19 20  1  0
 19 42  1  0
 20 45  1  0
 21 22  2  0
 21 23  1  0
 21 39  1  0
 22 38  1  0
 22 46  1  0
 23 47  2  0
 23 92  1  0
 24 46  2  0
 24 47  1  0
 24 93  1  0
 25 26  1  0
 26 94  1  0
 29 32  2  0
 31 32  1  0
 32 35  1  0
 32 33  1  0
 38 18  1  0
 40 44  1  0
 43 44  1  0
 44 45  1  0
 44 90  2  0
 48 49  2  0
 48 50  1  0
 49 51  1  0
 50 52  2  0
 51 53  2  0
 52 53  1  0
 52 83  1  0
 53 66  1  0
 54 60  1  0
 54 81  1  0
 54 95  1  0
 55 76  2  0
 55 81  1  0
 56 62  1  0
 56 82  1  0
 57 63  1  0
 57 77  2  0
 57 82  1  0
 58 64  1  0
 58 65  1  0
 59 65  1  0
 59 78  2  0
 59 83  1  0
 60 84  2  0
 61 55  1  0
 61 67  1  0
 61 79  1  0
 62 79  1  0
 62 85  2  0
 63 80  1  0
 64 80  1  0
 64 86  2  0
 66 69  2  0
 67 97  1  0
 68 70  1  0
 68 83  1  0
 69 71  1  0
 69 89  1  0
 70 71  2  0
 70 72  1  0
 71 73  1  0
 72 74  2  0
 73 75  2  0
 74 75  1  0
 87 88  1  0
 87 66  1  0
 88 89  2  0
 91 87  1  0
 93 25  1  0
 94 60  1  0
 95 96  1  0
 96 98  1  0
 96 99  1  0
 97100  1  0
100 79  1  0
M  RAD  8   1   2   3   3   6   3   8   3   9   3  10   2  11   2  12   2
M  RAD  8  13   2  14   2  15   2  16   2  17   2  18   2  19   2  20   3
M  RAD  8  25   3  26   3  27   2  36   2  41   2  48   2  49   2  50   2
M  RAD  8  51   2  54   2  56   3  58   3  61   2  63   3  65   3  67   3
M  RAD  8  68   3  72   2  73   2  74   2  75   2  80   2  81   2  82   2
M  RAD  8  91   2  92   3  93   2  94   2  95   3  96   2  97   3  98   2
M  CHG  2  31  -1  43  -1
M  RAD  2  99   2 100   3
M  END
$$$$
