
     RDKit          3D

 62 64  0  0  0  0  0  0  0  0999 V2000
    4.4659    2.1400    2.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0934    0.7377    1.9547 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0258    0.3692    1.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0474    1.2997    0.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0286    0.9043   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9943   -0.4179   -0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9673   -1.3256   -0.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9444   -0.9121    0.5971 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8821   -2.7737   -0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2065   -3.6287    0.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2183   -3.1790    0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2260   -3.3345   -0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6630   -3.0075    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8563   -1.5514    0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7507   -1.1363    1.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0120    0.1894    2.1398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3976    1.1105    1.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4858    0.7236   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1922   -0.6080   -0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9793    1.7062   -1.2229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9071    2.7096   -1.7351 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5890    3.6681   -2.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3850    3.5114   -0.6210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7877    1.9510   -2.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0055    1.5498   -3.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494    1.6000   -1.8889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1028    1.8359   -0.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0448   -0.5051    2.7203 S   0  0  0  0  0  6  0  0  0  0  0  0
    6.3001   -1.0690    1.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6960    0.0360    3.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602   -1.6564    3.1102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    2.6582    2.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5928    2.6415    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4259    2.2269    2.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0554    2.3123    1.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1988   -0.7441   -1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3473   -2.8880   -1.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9121   -3.1585   -0.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -4.6861    0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371   -3.6001    1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1965   -2.1284    1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5569   -3.8050    1.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025   -4.3877   -0.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9534   -2.6901   -1.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3501   -3.2720   -0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9508   -3.6545    0.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4844   -1.8448    2.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9403    0.4980    3.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6357    2.1236    1.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2719   -0.9216   -1.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4009    1.1451   -2.0869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8342    2.2710   -0.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0697    3.1058   -3.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3760    4.2707   -2.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8440    4.3676   -3.1805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    4.2441   -0.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1720    4.0170   -0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2253    2.8929   -0.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9101    1.6275    0.1714 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9178   -1.8486    2.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8225   -1.4946    0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9458   -0.2151    1.3027 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  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  1
 21 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
  2 28  1  0
 28 29  1  0
 28 30  2  0
 28 31  2  0
  8  3  1  0
 19 14  1  0
 27  5  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  4 35  1  0
  6 36  1  0
  9 37  1  0
  9 38  1  0
 10 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 15 47  1  0
 16 48  1  0
 17 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 22 53  1  0
 22 54  1  0
 22 55  1  0
 23 56  1  0
 23 57  1  0
 27 58  1  0
 27 59  1  0
 29 60  1  0
 29 61  1  0
 29 62  1  0
M  END
$$$$
