
     RDKit          3D

 69 72  0  0  0  0  0  0  0  0999 V2000
    7.1515    2.5331   -0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1918    2.1193    0.4513 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1881    1.1649    0.2200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0476    0.5093   -1.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0229   -0.4375   -1.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8768   -1.1093   -2.4467 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7185   -0.9254   -3.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1285   -0.7184   -0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928   -1.8694   -0.3466 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.5575   -2.2102   -1.7924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2131   -3.1133    0.3838 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3140   -1.1644    0.3203 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1012    0.1359   -0.3624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0739    1.2468    0.6804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7113    2.5117    0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6417    3.2109    1.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8239    2.3864    1.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1163    2.0239    2.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9103    2.3917    0.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8385    3.2305    0.5819 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9608    1.4539   -0.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7069    1.8274   -1.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8110    0.9761   -2.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1837   -0.2661   -2.9463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4483   -0.6624   -1.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3242    0.1862   -0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5769   -0.2036    0.4186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2348   -1.5489    0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -1.6962    2.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2983   -3.1810    2.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164   -4.1152    1.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5291   -3.4540    0.9271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8586   -2.1011    0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2877   -0.0807    1.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3014    0.8582    1.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4433    1.6549    2.8189 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8139    3.2995   -0.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7717    1.6684   -0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6404    2.9798   -1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7329    0.7365   -1.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6635    0.1271   -3.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3731   -1.5897   -4.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7662   -1.1917   -3.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7334    0.0804   -1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9540    0.4449   -1.0044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9173    1.5108    1.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6713    0.8635    1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843    2.2845   -0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0975    3.2154   -0.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9632    4.1872    0.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0770    3.4333    2.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2018    1.6408    3.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8901    1.2276    2.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4864    2.9149    3.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2059    2.7882   -1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3823    1.2809   -3.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2667   -0.9250   -3.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9702   -1.6295   -1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515   -2.1959    0.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4061   -1.1861    2.7435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -1.2009    2.6922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -3.2927    3.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3414   -3.4992    2.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4975   -4.3804    0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3829   -5.0625    2.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2280   -3.2755    1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1112   -4.1792    0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0176   -2.3333   -0.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6097   -0.3058    1.8798 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
  5  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 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
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
  8 34  1  0
 34 35  2  0
 35 36  1  0
 35  3  1  0
 33 12  1  0
 26 21  1  0
 33 28  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  4 40  1  0
  7 41  1  0
  7 42  1  0
  7 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 16 50  1  0
 16 51  1  0
 18 52  1  0
 18 53  1  0
 18 54  1  0
 22 55  1  0
 23 56  1  0
 24 57  1  0
 25 58  1  0
 28 59  1  0
 29 60  1  0
 29 61  1  0
 30 62  1  0
 30 63  1  0
 31 64  1  0
 31 65  1  0
 32 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
M  END
$$$$
