
     RDKit          3D

 87 90  0  0  0  0  0  0  0  0999 V2000
   -2.5431    1.8025    3.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631    2.6798    1.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7204    3.9172    2.0915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    2.1427    0.6001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6368    2.9692   -0.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0694    3.5613   -0.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1944    2.5785   -0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0692    2.1137   -1.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3257    1.2477   -2.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3690   -0.2798   -2.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1695   -0.7940   -0.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8460   -0.5412   -0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6166   -1.4603    1.1472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3923   -2.9470    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2699   -3.8953    1.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6044   -3.4508    1.4763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7971   -2.3415    2.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6867   -1.2580    2.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -0.4883   -0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3922   -0.0589   -0.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857   -0.9287   -0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558   -0.5985    0.2312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182   -1.5152    0.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9198   -2.7484   -0.0705 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4729   -1.0273    0.1241 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596    0.2013   -0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1275   -0.0430   -1.4089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2077   -0.7011   -0.6339 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8708    0.1890    0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8376    1.1988   -0.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9714    0.6032   -1.0614 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7950   -0.3133   -0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851   -0.0046   -2.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7378   -1.9638   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5066   -1.7515    0.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0785    0.6046    0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041    1.4828    1.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2423    1.1747    0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8650    0.7830    2.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5200    1.7742    3.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2411    2.2043    3.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4848    2.3947   -1.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9158    3.8157   -0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0898    4.4318    0.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2849    3.9949   -1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8662    3.1067    0.5645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8068    1.7163    0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4663    3.0139   -1.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9537    1.5689   -0.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8066    1.4281   -3.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2968    1.6098   -2.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3774   -0.6288   -2.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6508   -0.7843   -2.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3997   -1.8773   -0.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675   -0.3472   -0.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6697   -1.1581    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3216   -3.2287    0.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6147   -3.1122   -0.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2113   -4.9094    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028   -3.9737    2.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8949   -2.7040    3.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7740   -1.8750    2.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1708   -1.2436    3.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1566   -0.2580    2.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521   -1.4670   -1.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8370    0.2290   -1.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852   -1.8666   -0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0521    0.5367   -1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0362    1.0123    0.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4759    0.9207   -1.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729   -0.6872   -2.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1192    0.7535    0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4428   -0.4063    1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2524    1.8399    0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2831    1.9032   -0.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2812   -1.2847   -0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0419    0.1447    0.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7551   -0.5115   -0.7751 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4803   -0.0981   -2.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1533   -1.0179   -2.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609    0.6381   -2.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5569   -2.4371    0.5683 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819   -2.6842   -0.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -2.7423    1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7858   -1.1657    1.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0053    0.8713    1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1429    2.4207    1.5594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  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
 12 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 28 34  1  0
 34 35  1  0
 22 36  2  0
 36 37  1  0
 37 38  2  0
 38  4  1  0
 18 13  1  0
 38 20  1  0
 35 25  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  6 45  1  0
  7 46  1  0
  7 47  1  0
  8 48  1  0
  8 49  1  0
  9 50  1  0
  9 51  1  0
 10 52  1  0
 10 53  1  0
 11 54  1  0
 11 55  1  0
 13 56  1  0
 14 57  1  0
 14 58  1  0
 15 59  1  0
 15 60  1  0
 17 61  1  0
 17 62  1  0
 18 63  1  0
 18 64  1  0
 19 65  1  0
 19 66  1  0
 21 67  1  0
 26 68  1  0
 26 69  1  0
 27 70  1  0
 27 71  1  0
 29 72  1  0
 29 73  1  0
 30 74  1  0
 30 75  1  0
 32 76  1  0
 32 77  1  0
 32 78  1  0
 33 79  1  0
 33 80  1  0
 33 81  1  0
 34 82  1  0
 34 83  1  0
 35 84  1  0
 35 85  1  0
 36 86  1  0
 37 87  1  0
M  END
$$$$
