cxypay0153
     RDKit          3D

 53 60  0  0  1  0  0  0  0  0999 V2000
   -5.8687   -1.1468   -0.0273 C   0  0  0  0  0  2  0  0  0  0  0  0
   -6.0943   -2.0421   -1.2688 C   0  0  0  0  0  2  0  0  0  0  0  0
   -7.4169   -3.8508   -2.1191 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.4867   -1.6704    1.3757 C   0  0  0  0  0  2  0  0  0  0  0  0
   -3.0685    5.8442   -0.5511 C   0  0  0  0  0  3  0  0  0  0  0  0
   -3.3689    3.3902   -0.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9702    1.3728    0.6199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1521   -0.5518    2.0382 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.3027   -3.0289    2.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7562   -4.1083   -0.4410 C   0  0  0  0  0  2  0  0  0  0  0  0
   -2.2726    6.9722   -0.7109 C   0  0  0  0  0  3  0  0  0  0  0  0
   -2.5773    4.6157   -0.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    2.1753   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0148    0.3558    0.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4930   -1.7290    2.6580 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7505   -2.9257    2.3821 C   0  0  0  0  0  2  0  0  0  0  0  0
   -5.4387   -3.9015    1.0727 C   0  0  0  0  0  2  0  0  0  0  0  0
   -1.0115    6.8635   -1.3050 C   0  0  0  0  0  3  0  0  0  0  0  0
   -1.3378    4.5099   -1.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3194    2.0246   -1.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7776    0.1268    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3295   -1.7477    1.7583 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.5328    5.6358   -1.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830    3.1651   -2.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3654    0.9969   -0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0898   -1.0576    0.5701 C   0  0  0  0  0  3  0  0  0  0  0  0
    1.3846    6.6756   -2.6663 C   0  0  0  0  0  1  0  0  0  0  0  0
    2.0201   -2.1242   -0.2589 C   0  0  0  0  0  3  0  0  0  0  0  0
    2.9265   -1.3762    0.5319 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.9473   -3.4661   -0.8503 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.2986   -1.5146    0.7625 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.7848   -2.6261   -0.0199 C   0  0  0  0  0  3  0  0  0  0  0  0
    4.4962   -4.6577   -1.6901 C   0  0  0  0  0  1  0  0  0  0  0  0
    5.6805   -0.0411    2.0958 C   0  0  0  0  0  2  0  0  0  0  0  0
    7.1398   -0.0828    2.4677 C   0  0  0  0  0  2  0  0  0  0  0  0
    6.4728   -1.2046    0.2096 C   0  0  0  0  0  3  0  0  0  0  0  0
    7.8840   -1.0243    0.6038 C   0  0  0  0  0  3  0  0  0  0  0  0
   10.1330   -1.2801    0.0266 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.0380    1.5863    1.3008 O   0  0  0  0  0  1  0  0  0  0  0  0
   -4.5557    3.4417   -1.1707 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8443   -4.1744    2.5470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0541   -3.4515   -1.7368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2075   -2.9081    2.1560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1059   -1.4907    3.8967 O   0  0  0  0  0  1  0  0  0  0  0  0
   -0.3878    2.9946   -3.4178 N   0  0  0  0  0  2  0  0  0  0  0  0
    0.7111    5.4718   -2.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7633    0.9150   -1.5574 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.6971   -1.8025   -0.4259 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5720   -3.1998   -0.9629 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2758   -0.4274    0.7607 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1261   -2.4394   -0.3221 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2549   -0.4673    1.8677 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7902   -1.6141   -0.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  1  4  1  0
  2 42  1  0
  3 42  1  0
  4 43  1  0
  5 11  2  0
  5 12  1  0
  6 12  1  0
  6 13  1  0
  6 40  2  0
  7 13  2  0
  7 14  1  0
  7 39  1  0
  8 14  1  0
  8 15  1  0
  9 16  1  0
  9 41  2  0
 10 17  1  0
 10 42  1  0
 11 18  1  0
 12 19  2  0
 13 20  1  0
 14 21  2  0
 15  9  1  0
 15 22  1  0
 15 44  1  1
 16 43  1  0
 17 43  1  0
 18 23  2  0
 19 23  1  0
 19 24  1  0
 20 24  1  0
 20 25  2  0
 21 25  1  0
 21 26  1  0
 22 26  1  0
 23 46  1  0
 24 45  2  0
 25 47  1  0
 26 48  1  0
 27 46  1  0
 28 29  1  0
 28 48  1  0
 28 49  1  0
 30 32  1  0
 30 33  1  0
 30 49  1  0
 31 29  1  0
 31 32  1  0
 31 50  1  0
 32 51  1  0
 34 35  1  0
 34 50  1  0
 35 52  1  0
 36 37  1  0
 36 50  1  0
 36 51  1  0
 37 52  1  0
 37 53  1  0
 38 53  1  0
M  RAD  8   1   3   2   3   3   2   4   3   5   2   8   3  10   3  11   2
M  RAD  8  16   3  17   3  18   2  22   3  26   2  27   2  28   2  29   3
M  RAD  8  30   2  31   2  32   2  33   2  34   3  35   3  36   2  37   2
M  RAD  5  38   2  39   2  44   2  45   2  47   2
M  END
$$$$
