cxypay0178
     RDKit          3D

 49 56  0  0  1  0  0  0  0  0999 V2000
   -4.9192    1.7106   -0.1669 C   0  0  0  0  0  1  0  0  0  0  0  0
   -5.8880    0.8305   -0.8852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6613   -0.5786   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5682   -1.5938   -1.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9531   -1.4663   -1.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3716   -2.3822   -2.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1742   -2.9431   -1.0174 C   0  0  0  0  0  3  0  0  0  0  0  0
   -4.9126   -3.3311   -0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4975   -4.6345   -0.4771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5241   -5.5874   -0.3366 C   0  0  0  0  0  1  0  0  0  0  0  0
   -3.9898   -2.3426   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7412   -2.7371    0.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8466   -1.7543    0.2421 C   0  0  0  0  0  2  0  0  0  0  0  0
   -0.7875   -0.6349    0.3135 C   0  0  0  0  0  2  0  0  0  0  0  0
    0.2955    0.4533    0.3688 C   0  0  0  0  0  2  0  0  0  0  0  0
    1.4145    1.5073    0.4020 C   0  0  0  0  0  2  0  0  0  0  0  0
    2.5798    2.5166    0.4295 C   0  0  0  0  0  2  0  0  0  0  0  0
    3.6076    3.3629    0.4607 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    2.7507    0.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0334    1.4153    0.1282 C   0  0  0  0  0  3  0  0  0  0  0  0
    6.2947    0.8026    0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3038   -0.5700   -0.2169 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1335   -1.1250    0.3944 C   0  0  0  0  0  3  0  0  0  0  0  0
    8.3175   -1.2468    1.2221 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0844   -1.0732    2.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1835   -2.4262    1.0430 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.5261   -2.1436    0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2726   -2.9431   -0.2037 C   0  0  0  0  0  2  0  0  0  0  0  0
   11.6258   -2.8197    1.2697 C   0  0  0  0  0  2  0  0  0  0  0  0
   10.4453   -0.7357    0.5936 C   0  0  0  0  0  2  0  0  0  0  0  0
    9.2354   -0.1357    0.7872 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4102    1.5914    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8504    1.1763    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6822    2.0424    0.2479 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2090    2.9357    0.8783 C   0  0  0  0  0  3  0  0  0  0  0  0
    5.9377    3.5170    0.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175    4.8351    1.2053 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6146    5.3499    2.1634 C   0  0  0  0  0  1  0  0  0  0  0  0
   -4.3817   -1.0075   -0.3522 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.1425    1.3894   -1.0494 C   0  0  0  0  0  3  0  0  0  0  0  0
   -7.3009    2.1750   -2.0254 O   0  0  0  0  0  1  0  0  0  0  0  0
   -8.3203    0.7184   -0.4072 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.0604    0.3095    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5666    1.5193   -0.3182 C   0  0  0  0  0  2  0  0  0  0  0  0
  -10.6535    1.0168   -1.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0567   -0.1532   -1.5921 C   0  0  0  0  0  2  0  0  0  0  0  0
   -8.7563   -0.4183   -1.2784 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9814    1.0279   -0.5696 C   0  0  0  0  0  2  0  0  0  0  0  0
  -11.5582    1.8300   -1.7908 C   0  0  0  0  0  2  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2 40  1  0
  3  4  2  0
  3 39  1  0
  4  5  1  0
  4  7  1  0
  5  6  2  0
  5 47  1  0
  7  8  2  0
  8  9  1  0
  8 11  1  0
  9 10  1  0
 11 12  1  0
 11 39  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 36  1  0
 20 21  1  0
 21 22  1  0
 21 32  2  0
 22 23  2  0
 23 24  1  0
 24 25  1  1
 24 26  1  0
 24 31  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 28 29  1  0
 30 31  1  0
 31 33  1  0
 32 33  1  0
 32 35  1  0
 33 34  2  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  1
 42 44  1  0
 42 47  1  0
 44 45  1  0
 45 46  1  0
 45 48  1  0
 45 49  1  0
 46 47  1  0
 48 49  1  0
M  RAD  8   1   2   7   2  10   2  13   3  14   3  15   3  16   3  17   3
M  RAD  8  20   2  23   2  26   3  28   3  29   3  30   3  35   2  38   2
M  RAD  7  39   2  40   2  41   2  44   3  46   3  48   3  49   3
M  END
$$$$
