
     RDKit          3D

 60 63  0  0  0  0  0  0  0  0999 V2000
    4.4877    0.3053    2.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0442   -0.5836    1.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5352   -2.2691    1.3477 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.8285   -2.8573    2.6989 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3223   -3.0255    0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8282   -2.4054    1.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4678   -1.8015   -0.2771 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5940   -2.8469   -1.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476   -2.2807   -2.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7554   -1.6438   -2.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7264   -0.6656   -1.5925 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164    0.7181   -1.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350    0.9861   -2.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088    1.8665   -1.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    2.2087   -1.7509 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8004    2.9974   -1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9751    4.3227   -1.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9239    5.1382   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7096    4.6336    0.1463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5557    3.3093    0.5634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    2.4700   -0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423    1.0345    0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7155    0.1736    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5495   -1.2381    0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900   -1.5839    1.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5446   -0.5039    2.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8854    0.9486    1.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3355   -1.6603    0.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431   -2.2068    0.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0344   -1.1932   -0.2462 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8081    1.3416    2.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7122    0.0087    2.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8154   -0.2659    0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.8730    1.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1563   -0.9601   -0.5169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494   -3.1702   -1.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0032   -3.7559   -1.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362   -3.0963   -3.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8818   -1.5164   -3.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5039   -1.1606   -3.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104   -2.4299   -2.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2927    1.6225   -0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840    2.7471   -1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678    4.7224   -2.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0486    6.1638   -1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4403    5.2701    0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1724    2.9415    1.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7079    0.5737   -0.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5783    0.6796    0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9590    0.0679   -0.8171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1687   -1.2975    1.8148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9427   -2.0054    0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -2.5755    1.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9797   -0.6959    3.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4474   -0.6007    2.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9744    1.5788    1.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6378    1.3577    2.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041   -3.1436   -0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1705   -2.5126    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0448   -0.3626    0.4883 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30  7  1  0
 30 11  1  0
 21 16  1  0
 27 22  1  0
  1 31  1  0
  1 32  1  0
  2 33  1  0
  6 34  1  0
  7 35  1  6
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 14 42  1  0
 14 43  1  0
 17 44  1  0
 18 45  1  0
 19 46  1  0
 20 47  1  0
 22 48  1  0
 23 49  1  0
 23 50  1  0
 24 51  1  0
 24 52  1  0
 25 53  1  0
 26 54  1  0
 26 55  1  0
 27 56  1  0
 27 57  1  0
 29 58  1  0
 29 59  1  0
 30 60  1  1
M  END
$$$$
