
     RDKit          3D

 60 63  0  0  0  0  0  0  0  0999 V2000
    4.7412    1.8326    3.9107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241    1.3777    2.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3340    1.6906    2.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748    2.3960    2.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0336    1.1140    1.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9526    0.2017    0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1351   -0.1180    1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8353   -0.8335    0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223    0.4688    2.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941    0.1498    3.0712 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6544   -0.5627   -0.8316 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8117   -1.8202   -0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9401   -2.2270   -1.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9313   -1.1198   -2.0198 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6350    0.2074   -2.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1375    0.3198   -2.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132   -0.9333   -0.8774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2259   -0.6698   -1.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0327   -0.2771    0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5579   -0.2816   -0.2753 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3012   -0.2965    1.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6462   -1.3988    0.9481 S   0  0  0  0  0  6  0  0  0  0  0  0
   -5.0603   -3.0766    1.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3978   -1.2440   -0.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5731   -1.1012    2.0952 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9767    0.9138   -1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2330    2.2357   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4482    2.2183    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5756    1.0377    0.5074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3309    1.1265    1.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0847    0.3212    2.1590 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094    2.1206    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642    1.4338    0.3348 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2575   -0.5245    2.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6301   -0.9530   -1.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878   -2.6652   -0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1626   -1.6519    0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5697   -2.4256   -2.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3976   -3.1645   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462   -1.4715   -2.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5511    0.3434   -3.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0731    1.0616   -1.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7116    0.0285   -2.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3999    1.3885   -1.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6673   -1.5892   -1.6918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2816    0.1599   -1.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8472   -1.0505    0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7799   -1.2129   -0.8419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7063    0.6429    1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4027   -3.3229    0.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9264   -3.7636    1.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4871   -3.1990    2.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7875    0.6440   -2.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0755    1.0762   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9601    3.0726   -0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5197    2.4464   -1.6964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367    2.2101    1.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8597    3.1607    0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9261    2.8144    1.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3244    2.7391   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 22 25  2  0
 20 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
  9  2  1  0
 16 11  1  0
 29 19  1  0
 33  5  1  0
 10 34  1  0
 11 35  1  6
 12 36  1  0
 12 37  1  0
 13 38  1  0
 13 39  1  0
 14 40  1  6
 15 41  1  0
 15 42  1  0
 16 43  1  0
 16 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  0
 20 48  1  6
 21 49  1  0
 23 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
 26 54  1  0
 27 55  1  0
 27 56  1  0
 28 57  1  0
 28 58  1  0
 32 59  1  0
 32 60  1  0
M  ISO  3   1   2   4   2   8   2
M  END
$$$$
