
     RDKit          3D

 83 86  0  0  0  0  0  0  0  0999 V2000
    7.9845    1.4713    1.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5732    0.7506    0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5601   -0.3530    0.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5193    0.2565   -0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5094    0.6867   -1.8524 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5025    0.0113   -2.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9183   -0.8227   -1.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5479   -0.6672   -0.3345 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2120   -1.4084    0.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668   -1.1375    1.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.3411    1.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1420    0.5599    2.0704 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0528    0.5815    1.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577    0.3231   -0.0813 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6636    0.8768    1.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990    1.1743    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2899    2.4291   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1356    2.6853   -1.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0421    1.7154   -1.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0820    0.4406   -1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1619    0.1775    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9485   -0.6852   -1.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6749   -1.5081   -0.5543 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9114   -2.6498   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000   -3.8624    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3738   -4.3896   -1.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2041   -5.5128   -1.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4616   -6.1209    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8906   -5.6057    1.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0632   -4.4803    1.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4176   -0.7592    0.4816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6572   -0.1354   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4495   -0.8748   -0.7477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0072    1.2455    0.0956 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0946    2.2652    0.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4166    3.6637    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2997    4.2330   -0.8552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4230    3.8572   -2.3460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2092    2.3730   -2.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8275    2.0191   -2.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6246    0.7650    2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7691    2.1017    2.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1511    2.1384    1.3112 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1698    1.5166   -0.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4035    0.0832    1.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9793   -0.8299   -0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0857   -1.1369    1.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2185    0.1155   -3.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0924   -1.4990   -1.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3240   -2.4959    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8952   -1.1688    1.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5558   -1.7441    2.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0664   -1.4717    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7591    0.9843    0.7841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1991    0.6404    2.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9509    0.7755    3.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7020    1.7495    2.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3075    0.0096    2.2307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946    3.1989    0.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0911    3.6482   -1.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0873   -0.8065    0.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3060   -1.3299   -2.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7023   -0.2862   -2.2642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5088   -2.4097    1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0410   -2.9107   -0.6501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803   -3.9267   -2.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6474   -5.9123   -1.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1013   -6.9921    0.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0898   -6.0794    2.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6285   -4.0933    2.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7606   -0.0414    1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7728   -1.4568    1.2717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9833    1.5254   -0.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1889    2.2832    1.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    2.0055    0.3891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3866    3.6807   -0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5367    4.3588    0.9066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3671    5.3417   -0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3007    3.9811   -0.4539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4330    4.1583   -2.7003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6890    4.4571   -2.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6405    2.1940   -3.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7584    1.7139   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  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  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 23 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
  8  4  1  0
 21 16  1  0
 30 25  1  0
 40 19  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  2 44  1  0
  3 45  1  0
  3 46  1  0
  3 47  1  0
  6 48  1  0
  7 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
 12 56  1  0
 15 57  1  0
 15 58  1  0
 17 59  1  0
 18 60  1  0
 21 61  1  0
 22 62  1  0
 22 63  1  0
 24 64  1  0
 24 65  1  0
 26 66  1  0
 27 67  1  0
 28 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 31 72  1  0
 34 73  1  0
 35 74  1  0
 35 75  1  0
 36 76  1  0
 36 77  1  0
 37 78  1  0
 37 79  1  0
 38 80  1  0
 38 81  1  0
 39 82  1  0
 39 83  1  0
M  END
$$$$
