
     RDKit          3D

 78 81  0  0  0  0  0  0  0  0999 V2000
   -4.0860    2.9108    0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5604    2.9180   -0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9994    1.7380    0.7523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8805    0.5131    0.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723   -0.6596    0.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440   -0.5800    2.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2265    0.6320    2.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6816    1.7951    2.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8136    3.0570    2.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4899    3.8209    3.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1402    4.3845    1.8131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8456    3.8587    0.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626    4.0639   -0.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9714    3.1479    1.5035 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5982    2.0894    0.7710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9847    2.0574    0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5903    1.0316   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8274   -0.0175   -0.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6435   -1.2864   -1.5994 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.2051   -2.6411   -1.1177 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2416   -1.1213   -3.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4407   -1.2350   -1.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0566   -2.1622   -2.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9144   -1.6350   -0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4149   -0.0030   -0.4719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8260    1.0619    0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5008   -1.1270   -0.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069   -1.9959    0.2058 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0984   -2.4940    1.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1366   -2.7197    0.1365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1171   -3.9809    0.1565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4770   -2.0238    0.0541 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9327   -1.9727   -1.3423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3178   -1.8953   -1.7401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6534   -2.0927   -3.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9835   -2.0198   -3.5051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9936   -1.7291   -2.5862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6820   -1.4973   -1.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7610   -1.1708   -0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4964   -0.4161    0.9136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9399   -1.5512   -0.5044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3425   -1.5988   -0.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4462    2.9758    1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784    1.9807   -0.4336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4788    3.7808   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1796    3.8823    0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2312    2.8687   -1.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1321    0.4844   -0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355   -1.4684    2.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9647    0.6554    3.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6059    3.7275    2.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1438    2.7821    3.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3081    3.1591    3.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6236    4.6530    3.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    3.4896    2.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5954    2.8455    1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6607    1.0716   -0.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7854   -0.2027   -1.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7644   -1.8331   -3.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7169   -3.2090   -2.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1652   -2.1352   -2.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4333   -1.0043    0.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0134   -1.5007   -0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6694   -2.6983    0.1160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7588    1.0793    0.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9461   -1.7422   -1.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970   -0.6674   -1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6360   -2.5757    2.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9702   -1.8168    1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4586   -3.4964    0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1852   -2.6648    0.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2157   -2.0603   -2.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8823   -2.3135   -3.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2321   -2.1838   -4.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0177   -1.6670   -2.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2627   -0.2445    1.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5759    0.0490    1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1049   -1.4549    0.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 18 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 38 42  2  0
  8  3  1  0
 26 15  1  0
 42 34  1  0
 32  5  1  0
  1 43  1  0
  1 44  1  0
  1 45  1  0
  2 46  1  0
  2 47  1  0
  4 48  1  0
  6 49  1  0
  7 50  1  0
  9 51  1  0
  9 52  1  0
 10 53  1  0
 10 54  1  0
 14 55  1  0
 16 56  1  0
 17 57  1  0
 22 58  1  0
 23 59  1  0
 23 60  1  0
 23 61  1  0
 24 62  1  0
 24 63  1  0
 24 64  1  0
 26 65  1  0
 27 66  1  0
 27 67  1  0
 29 68  1  0
 29 69  1  0
 29 70  1  0
 32 71  1  1
 33 72  1  0
 35 73  1  0
 36 74  1  0
 37 75  1  0
 40 76  1  0
 40 77  1  0
 42 78  1  0
M  END
$$$$
