
     RDKit          3D

 78 81  0  0  0  0  0  0  0  0999 V2000
   -1.3500    0.1970    4.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1462    0.4798    2.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7188    1.4538    1.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4501    1.6741    0.7347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6487    0.9795    0.5290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0776    0.0488    1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3072   -0.1912    2.5859 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3058   -0.6695    1.3292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5642    0.0107    1.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4011   -0.7910    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9191   -0.6244   -1.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7682   -1.5676   -1.7887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3440   -1.3022   -3.1219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4398   -0.2796   -3.4142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8702    0.8386   -4.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9773    1.8740   -4.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6424    1.7811   -4.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1905    0.6464   -3.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1030   -0.3716   -2.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7382    0.5155   -2.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4856    0.8901   -1.4691 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0268    0.7663   -1.1364 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4988   -0.5259   -1.4276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300    1.1229    0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7689    1.0451    0.6544 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056   -0.1794    1.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5508   -0.1386    1.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9363    0.6052    2.9283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2822    0.6843    3.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2543    0.0332    2.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8891   -0.7058    1.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9349   -1.4161    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6568   -2.4939    1.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9319   -0.4184   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5309   -0.7809    1.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9461    2.2656   -1.2297 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9551    2.6286   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4015    3.8088   -0.2570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -0.7123    4.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857    0.0288    3.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4235    1.0572    4.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8170    2.0183    2.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2255    1.1466   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3698   -1.6189    1.7606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1408    0.1097    1.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3873    1.0394    0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4349   -1.8647    0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4431   -0.4090    0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6215    0.4300   -1.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7672   -0.8488   -2.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1218   -2.6192   -1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9154   -1.4516   -1.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9028    0.9153   -4.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3192    2.7480   -4.9621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9604    2.5886   -4.2558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7710   -1.2469   -2.4560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131    1.1581   -3.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207   -0.5353   -3.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0470    0.1721   -0.8327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799    1.4833   -1.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9763   -1.1649   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0076    2.1685    0.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7239    0.4712    1.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3466    1.0891   -0.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9063   -1.0790    0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4778   -0.2601    2.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1939    1.1252    3.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5743    1.2581    4.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2920    0.1097    2.8315 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4392   -1.9328   -0.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2457   -2.0420    2.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9186   -3.2020    1.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3471   -3.0686    0.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6336   -0.9460   -0.7351 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911    0.3546   -0.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    0.0840    0.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2347   -1.3391    0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400    3.0271   -1.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  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  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 31 35  2  0
 21 36  1  0
 36 37  1  0
 37 38  2  0
  7  2  1  0
 19 14  1  0
 35 27  1  0
 37  4  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  5 43  1  0
  8 44  1  0
  9 45  1  0
  9 46  1  0
 10 47  1  0
 10 48  1  0
 11 49  1  0
 11 50  1  0
 12 51  1  0
 12 52  1  0
 15 53  1  0
 16 54  1  0
 17 55  1  0
 19 56  1  0
 20 57  1  0
 20 58  1  0
 21 59  1  1
 22 60  1  6
 23 61  1  0
 24 62  1  0
 24 63  1  0
 25 64  1  0
 26 65  1  0
 26 66  1  0
 28 67  1  0
 29 68  1  0
 30 69  1  0
 32 70  1  0
 33 71  1  0
 33 72  1  0
 33 73  1  0
 34 74  1  0
 34 75  1  0
 34 76  1  0
 35 77  1  0
 36 78  1  0
M  END
$$$$
