
     RDKit          3D

 48 51  0  0  0  0  0  0  0  0999 V2000
    6.4410   -1.1529   -1.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0493   -0.4389    0.4527 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.0180   -1.5171    1.4994 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1050    0.5642    0.8253 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4773    0.3489    0.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3870    1.7104    0.0665 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1396    2.3280   -0.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    1.6055    0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0457    0.2147    0.4877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3093   -0.3933    0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778   -0.6478    0.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3073   -0.6201    1.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4436   -1.5701   -0.2726 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957   -2.0801   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271   -3.3644   -0.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4333   -3.8469   -0.9139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4974   -3.0377   -0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2424   -1.7367   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9538   -1.3009    0.0368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3683   -0.8595    0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4695   -1.3175    0.9534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2927   -0.2896    1.1000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6908    0.7820    0.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4831    0.4606    0.0525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5948    1.3507   -0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0120    2.4346    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6003    2.8884   -0.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621    1.8132    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7561    2.3320    0.0222 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6662   -1.8993   -1.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4692   -0.3549   -1.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4310   -1.6510   -1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818    2.2955   -0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0904    3.3831   -0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3842   -1.4516    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1374   -1.8932   -0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3015   -3.9891   -1.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6218   -4.8451   -1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5109   -3.4127   -0.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1339    1.7682    0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1729    1.8412   -1.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8069    0.7616   -1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9879    2.0711    1.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6899    3.3156    0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5729    3.1363   -1.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480    3.8087    0.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7223    1.4765    1.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6805    0.9793   -0.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
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 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
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 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 10  5  1  0
 19 14  1  0
 24 20  1  0
 29  8  1  0
  1 30  1  0
  1 31  1  0
  1 32  1  0
  6 33  1  0
  7 34  1  0
 10 35  1  0
 13 36  1  0
 15 37  1  0
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 17 39  1  0
 23 40  1  0
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 25 42  1  0
 26 43  1  0
 26 44  1  0
 27 45  1  0
 27 46  1  0
 28 47  1  0
 28 48  1  0
M  END
$$$$
