
     RDKit          3D

 59 62  0  0  0  0  0  0  0  0999 V2000
    3.6202    1.8253   -1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9209    1.7943   -0.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0662    2.2619   -1.2921 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1226    2.2056   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6698    1.5802    1.0439 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0681    1.3498    0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0288    0.7965    1.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9899    1.1754    2.6821 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066   -0.2069    1.0169 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6577   -1.3535    0.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5731   -2.3708   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3111   -1.6273   -0.5138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6586   -0.8188    0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1108    0.3882    0.0197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9832    1.2566    0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5948    2.4547    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174    2.8269    0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1014    2.0065   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0113    0.6464    0.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3681   -0.4574   -0.4303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2828   -0.3514   -1.4921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5597   -1.4619   -2.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9237   -2.6806   -2.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0252   -2.7997   -0.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565   -1.6945   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7895   -1.8042    0.9442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1180   -1.4149    2.0985 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4475   -2.2348    0.6880 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3016   -1.7522    1.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -0.3033    1.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6451    2.6205   -2.2388 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7879    2.0463   -0.7666 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427    0.8504   -1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1162    2.5546   -0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4491   -1.8505    0.8769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1211   -0.9969   -0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3575   -3.0230    0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9304   -3.0203   -0.9085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6094   -2.3486   -0.9722 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6026   -0.9427   -1.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6293    1.0548   -0.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3911    1.6611    1.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6097    2.2681   -0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9313    3.3354    0.3428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1972    3.9027    0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1110    2.7013    1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1076    2.3978    0.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9655    2.0985   -1.1538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7804    0.5868   -1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2559   -1.3718   -3.1202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1298   -3.5362   -2.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5461   -3.7543   -0.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2855   -2.9286   -0.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2603   -2.6405    1.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6489   -1.2205    2.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5022    0.6770    2.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8785   -0.9887    2.5172 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  1  0
  6  7  1  0
  7  8  2  0
  7  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  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 13 30  1  0
  6  2  2  0
 30  9  1  0
 29 13  1  0
 25 20  1  0
  1 31  1  0
  1 32  1  0
  1 33  1  0
  4 34  1  0
 10 35  1  0
 10 36  1  0
 11 37  1  0
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 12 39  1  0
 12 40  1  0
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 18 50  1  0
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 24 54  1  0
 28 55  1  0
 29 56  1  0
 29 57  1  0
 30 58  1  0
 30 59  1  0
M  END
$$$$
