
     RDKit          3D

 72 74  0  0  0  0  0  0  0  0999 V2000
   -3.8906    2.6720   -3.1813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4657    2.7879   -1.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0444    1.5354   -1.3154 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4903    1.4662   -1.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8340    2.2377   -0.2520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911    3.7008   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685    1.6004    0.6737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135    1.8695    1.9017 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1850    0.7543    0.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4434    1.3497    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    0.5909   -0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4005   -0.7841   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5090   -1.5872   -1.0545 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8774   -0.9433   -1.9087 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.4990   -2.0378   -2.7285 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282    0.1588   -2.8255 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0676   -0.3297   -0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9879   -0.3842    0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1032    0.1867    1.0863 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4242    0.4280    2.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8151    0.5905    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2092    0.2812   -1.1552 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1486   -1.3864   -0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419   -0.6310   -0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1979   -1.2644    0.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7838   -1.6640    1.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2288   -2.1663    1.0414 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1118   -3.5542    0.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0114   -1.1867    0.2153 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2801   -1.7133   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5056   -1.8498    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7163   -3.2449    1.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7911   -3.4968    2.1752 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9806   -3.3022    1.7426 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6274   -4.2253    0.2038 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1743    0.1210    0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7748    1.2643    0.0473 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9054    2.5318    0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0843    2.2629   -3.8282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8030    2.0392   -3.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1484    3.6829   -3.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3539    0.6919   -1.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1088    1.8185   -2.3023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2064    0.4029   -1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6015    4.1031   -0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1834    4.0232   -0.7471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8920    4.1376    0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5786    2.4077    0.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980    1.0821   -0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4280   -2.6259   -1.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1830   -0.7970    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0896    1.4482    2.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5219    0.3427    2.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9139   -0.3167    3.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7633    1.1106    0.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0253   -2.4452   -0.6221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1622   -2.4659    1.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623   -0.8365    2.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7128   -2.2959    2.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0730   -4.0986    0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3930   -4.2027    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7686   -3.4491   -0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1063   -2.6505   -0.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5829   -1.0361   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4095   -1.6351   -0.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5191   -1.0988    1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2022    0.4940    1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7485   -0.0024    1.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8235    0.9878   -0.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9167    2.8818    1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5253    2.3140    1.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4115    3.3497    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 12 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 29 36  1  0
 36 37  1  0
 37 38  1  0
 37  3  1  0
 24  9  1  0
 22 17  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  6
  4 43  1  0
  4 44  1  0
  6 45  1  0
  6 46  1  0
  6 47  1  0
 10 48  1  0
 11 49  1  0
 13 50  1  0
 18 51  1  0
 20 52  1  0
 20 53  1  0
 20 54  1  0
 21 55  1  0
 23 56  1  0
 26 57  1  0
 26 58  1  0
 27 59  1  1
 28 60  1  0
 28 61  1  0
 28 62  1  0
 30 63  1  0
 30 64  1  0
 31 65  1  0
 31 66  1  0
 36 67  1  0
 36 68  1  0
 37 69  1  6
 38 70  1  0
 38 71  1  0
 38 72  1  0
M  END
$$$$
