
     RDKit          3D

 59 62  0  0  0  0  0  0  0  0999 V2000
    2.3308    3.0732    0.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7562    1.6728    1.1355 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8446    0.7088    1.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521   -0.1153    0.3793 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3683    0.5272   -0.3390 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2383   -0.6331   -1.3050 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.3232   -1.5972   -0.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2893   -1.5540   -2.0202 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643    0.1027   -2.3214 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -0.1106   -0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1498   -1.3828   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910   -1.2915   -0.9255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8246   -2.5097   -0.8465 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4387   -2.7428    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001   -1.5519    0.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3888   -1.2023   -0.0817 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9038   -1.2559   -1.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790   -2.4459   -1.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0080    0.1565    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3693    0.2390    0.5760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9529    1.4729    0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1879    2.6393    0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8348    2.5795    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2354    1.3443    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    1.2471   -0.1552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9760    2.3169   -0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2726    1.7243   -0.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4036    1.6771   -2.1954 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2484    1.0849   -0.0988 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210    3.0364    0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5308    3.7644    0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7648    3.4836    1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9443    1.7338    1.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019    1.2235    2.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4034    0.0216    2.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5382   -1.1402    0.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0658    0.8932    0.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7280   -2.1834    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9139   -2.2927   -0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0131   -0.9215    0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2520   -0.0484   -1.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7349   -2.2579   -0.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9870   -1.4809    0.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1890   -3.3832   -1.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -2.9208    1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0658   -3.6618    0.5345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -0.6996    1.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7976   -1.7958    1.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1687   -1.9918    0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7923   -1.3249   -2.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3713   -0.3320   -1.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5659   -3.3907   -1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5662   -2.3420   -2.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9823   -0.6527    0.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0016    1.5246    1.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6446    3.5924    1.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2600    3.4955    0.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4084    3.0448   -1.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7699    2.8330    0.5935 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
  6  7  1  0
  6  8  2  0
  6  9  2  0
  4 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
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29  2  1  0
 29 10  1  0
 18 13  1  0
 24 19  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  1
  3 34  1  0
  3 35  1  0
  4 36  1  1
  5 37  1  0
  7 38  1  0
  7 39  1  0
  7 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 13 44  1  6
 14 45  1  0
 14 46  1  0
 15 47  1  0
 15 48  1  0
 16 49  1  6
 17 50  1  0
 17 51  1  0
 18 52  1  0
 18 53  1  0
 20 54  1  0
 21 55  1  0
 22 56  1  0
 23 57  1  0
 26 58  1  0
 26 59  1  0
M  END
$$$$
