
     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    5.7978    0.8440   -1.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1816    1.0891   -0.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4262    1.3882    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7443    0.4108    1.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3636   -1.0210    1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9461   -1.3549    0.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002   -1.2289    1.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149   -1.3956    1.5930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1040   -0.3835    1.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    0.7264    0.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5098   -0.7144    0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2802    0.2731    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6554    0.0377   -0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6480    1.3210   -0.9220 S   0  0  0  0  0  6  0  0  0  0  0  0
   -6.0290    0.8780   -0.9974 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3131    2.5608   -0.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0302    1.4323   -2.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7562    2.5016   -3.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1845   -1.1869   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224   -2.2119    0.3806 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1101   -2.0770    0.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4775   -3.0306    1.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4212   -1.9399    0.7237 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0973   -2.0524    1.9166 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3483    0.6219   -2.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3528    1.3960    0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6796    2.4018    0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2222    0.7385    2.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8165    0.4697    1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175   -0.7157   -0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8864   -2.3798    0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247   -1.9916    2.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030   -0.2491    2.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -2.3152    1.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8936    1.2855    0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9618    1.6621   -2.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1671    0.4542   -3.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3632    2.5511   -4.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8288    2.2911   -3.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6332    3.4865   -2.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2091   -1.4365   -0.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8259   -3.1366    0.4933 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 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  1  0
 13 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
  5 23  1  0
 23 24  2  0
 24  5  1  0
 21 11  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
 12 35  1  0
 17 36  1  0
 17 37  1  0
 18 38  1  0
 18 39  1  0
 18 40  1  0
 19 41  1  0
 20 42  1  0
M  END
