cxy0400
     RDKit          3D

 75 83  0  0  1  0  0  0  0  0999 V2000
    2.1295    6.4882    1.0761 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3628    5.6532    3.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9027    6.1127   -0.2142 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.1988    5.5981    2.2817 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.1496    4.6040   -0.3883 C   0  0  0  0  0  3  0  0  0  0  0  0
    3.0822    3.7025    0.8210 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3834    1.6837    1.1681 C   0  0  0  0  0  3  0  0  0  0  0  0
   -5.0149   -4.5082   -3.5110 C   0  0  0  0  0  2  0  0  0  0  0  0
   14.8604   -3.8928   -3.5616 C   0  0  0  0  0  2  0  0  0  0  0  0
   13.8589   -2.9342   -3.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310    1.4480    1.2994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4563    0.6538    1.3275 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.2305   -3.9910   -2.2746 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.2204   -3.5515   -3.5080 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.6638   -4.2921   -2.5122 C   0  0  0  0  0  3  0  0  0  0  0  0
   16.5848   -5.4927   -2.5940 C   0  0  0  0  0  1  0  0  0  0  0  0
   12.3346   -1.7195    0.3486 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.8398   -1.2240    3.1075 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.0263    0.0197    5.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0347   -1.0364    5.1178 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.0826    0.1863    1.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7880   -0.6864    1.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4130   -2.8952   -1.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6031   -2.4745   -2.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8672   -1.6756   -3.6345 C   0  0  0  0  0  2  0  0  0  0  0  0
   15.0269   -3.7406   -1.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -0.1271    2.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1422   -0.9306    1.7907 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.7540   -3.3296    1.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015   -2.4970   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1742   -2.1565   -0.8450 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.6258   -1.5412    1.7953 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.9708   -0.6492    4.1632 C   0  0  0  0  0  2  0  0  0  0  0  0
    5.7564   -1.0021    4.1623 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.3239   -1.5868    1.7189 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.6500   -2.1375   -1.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7570   -1.7074   -2.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9245   -0.3464   -3.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9712   -0.6911   -1.7497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6290   -1.1826    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8912   -0.9798   -0.8357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1747    0.0374   -2.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8413   -0.4893   -0.1383 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.9246    0.3300   -3.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3162    0.4135   -3.2711 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.1564    0.5952   -1.6013 C   0  0  0  0  0  3  0  0  0  0  0  0
  -11.5507    0.7886   -1.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5668    3.3035    1.0158 C   0  0  0  0  0  1  0  0  0  0  0  0
  -12.6525    1.1473   -0.8288 C   0  0  2  0  0  0  0  0  0  0  0  0
  -14.0965    1.5217   -1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1725    2.2601    0.0519 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.7486    7.7132    1.3016 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.3095    4.8888    3.5658 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0046    6.9404   -1.1469 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.7616    6.3204    4.5817 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.9351    4.3455    2.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456    4.0828   -1.5430 O   0  0  0  0  0  1  0  0  0  0  0  0
   13.2985   -2.2286   -3.9501 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    2.4142    0.8647 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0005    1.2387    5.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3047   -3.3030   -0.1481 N   0  0  0  0  0  2  0  0  0  0  0  0
    4.5546   -0.9998    3.2923 N   0  0  0  0  0  2  0  0  0  0  0  0
   13.9094   -2.9233   -1.7169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5176   -2.1333    1.7126 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2501   -0.5625   -5.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3014   -0.8109    5.8458 N   0  0  0  0  0  2  0  0  0  0  0  0
   -9.6193   -0.6080   -3.4645 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5113   -3.8912   -0.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5125    0.3179    1.6807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122   -4.3731    1.6495 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0571   -0.3092   -0.8619 N   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4004    0.8257   -2.6234 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9073    0.0793   -0.0283 O   0  0  0  0  0  1  0  0  0  0  0  0
  -14.9470    2.3071   -0.9741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368   -0.3991    0.5930 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0
  1  4  1  0
  1 52  1  0
  2  4  1  0
  2 53  2  0
  2 55  1  0
  3  5  1  0
  3 54  1  0
  4 56  1  0
  5  6  1  0
  5 57  1  0
  6 56  1  0
  6 59  1  0
  7 11  2  0
  7 12  1  0
  8 13  1  0
  8 14  1  0
  9 10  1  0
  9 15  1  0
 10 58  2  0
 10 63  1  0
 11 21  1  0
 11 59  1  0
 12 22  2  0
 13 23  1  0
 14 24  1  0
 15 16  1  0
 15 26  1  0
 17 31  1  0
 17 32  1  0
 18 32  1  0
 18 33  1  0
 19 33  1  0
 19 60  2  0
 19 66  1  0
 20 34  1  0
 20 66  1  0
 21 27  1  0
 21 28  2  0
 22 28  1  0
 22 35  1  0
 23 30  2  0
 23 36  1  0
 24 36  2  0
 24 37  1  0
 25 37  1  0
 25 67  1  0
 26 63  1  0
 26 68  2  0
 27 62  1  0
 27 69  2  0
 29 61  1  0
 29 64  1  0
 29 70  2  0
 30 40  1  0
 30 61  1  0
 31 63  1  0
 34 62  1  0
 35 64  1  0
 36 41  1  0
 37 39  2  0
 38 44  1  0
 38 65  2  0
 38 67  1  0
 39 42  1  0
 39 71  1  0
 40 43  2  0
 40 75  1  0
 41 43  1  0
 41 71  2  0
 42 46  2  0
 42 67  1  0
 44 45  1  0
 44 47  2  0
 45 72  1  0
 46 47  1  0
 47 49  1  0
 48 51  1  0
 49 50  1  0
 49 51  1  0
 49 73  1  1
 50 72  1  0
 50 74  2  0
M  RAD  8   1   2   3   2   4   2   5   2   6   2   7   2   8   3   9   3
M  RAD  8  12   2  13   3  14   3  15   2  16   2  17   3  18   3  20   3
M  RAD  8  25   3  28   2  31   3  32   3  33   3  34   3  35   3  43   2
M  RAD  8  45   3  46   2  48   2  51   3  52   2  54   2  55   2  57   2
M  RAD  4  61   2  62   2  66   2  73   2
M  END
$$$$
