@<TRIPOS>MOLECULE
ZINC01061693
   36    37     0     0     0
SMALL
USER_CHARGES

@<TRIPOS>ATOM
      1 C0          -6.6174   -0.3366   -0.5185 C.ar      1 <0>        -0.1734
      2 C1          -5.9327   -1.7841    1.2906 C.ar      1 <0>        -0.2498
      3 C2          -5.2939   -0.2503   -0.9505 C.ar      1 <0>         0.0056
      4 C3          -4.6092   -1.6980    0.8586 C.ar      1 <0>         0.0108
      5 C4          -6.9367   -1.1034    0.6020 C.ar      1 <0>         0.1473
      6 C5          -4.2898   -0.9310   -0.2620 C.ar      1 <0>        -0.8000
      7 C6          -9.6333    0.3738   -0.1361 C.2       1 <0>         0.3013
      8 C7          -2.8453    1.8064   -0.1748 C.3       1 <0>        -0.0347
      9 C8          -1.9196    0.3199    1.5529 C.3       1 <0>        -0.0345
     10 C9          -2.1110    2.9584    0.4965 C.3       1 <0>        -0.0308
     11 C10         -1.2245    1.5346    2.1518 C.3       1 <0>        -0.0304
     12 C11         -9.2445   -1.0765    0.0281 C.3       1 <0>        -0.0412
     13 N12         -2.0965    0.5426    0.0880 N.pl3     1 <0>        -0.8414
     14 N13        -10.6107    0.5501   -1.0909 N.am      1 <0>        -0.4309
     15 O14         -9.1318    1.2895    0.5096 O.2       1 <0>        -0.3284
     16 O15         -1.9156   -1.9949   -0.3294 O.2       1 <0>        -0.9157
     17 O16         -2.6261   -0.4828   -2.2153 O.2       1 <0>        -0.9133
     18 O17         -1.9868    2.7171    1.8998 O.3       1 <0>        -0.2701
     19 O18         -8.2283   -1.1880    1.0234 O.3       1 <0>        -0.1715
     20 S19         -2.6145   -0.8213   -0.8081 S.o2      1 <0>         2.7667
     21 H20         -7.3954    0.1954   -1.0594 H         1 <0>         0.1566
     22 H21         -6.1753   -2.3830    2.1641 H         1 <0>         0.1354
     23 H22         -5.0563    0.3499   -1.8245 H         1 <0>         0.1540
     24 H23         -3.8346   -2.2319    1.4024 H         1 <0>         0.1483
     25 H24         -3.8589    1.7103    0.2314 H         1 <0>         0.1027
     26 H25         -2.9049    1.9859   -1.2529 H         1 <0>         0.1097
     27 H26         -1.3105   -0.5736    1.7223 H         1 <0>         0.1077
     28 H27         -2.9045    0.1776    2.0125 H         1 <0>         0.1026
     29 H28         -1.1140    3.1068    0.0645 H         1 <0>         0.0711
     30 H29         -2.6737    3.8880    0.3655 H         1 <0>         0.1156
     31 H30         -1.1367    1.4184    3.2365 H         1 <0>         0.0692
     32 H31         -0.2139    1.6614    1.7456 H         1 <0>         0.1145
     33 H32         -8.8621   -1.4621   -0.9219 H         1 <0>         0.0976
     34 H33        -10.1191   -1.6557    0.3398 H         1 <0>         0.0949
     35 H34        -10.9936   -0.2408   -1.5983 H         1 <0>         0.2141
     36 H35        -10.9844    1.4651   -1.3226 H         1 <0>         0.2404
@<TRIPOS>BOND
     1    1    3 ar
     2    1    5 ar
     3    2    4 ar
     4    2    5 ar
     5    3    6 ar
     6    4    6 ar
     7    5   19 1
     8    6   20 1
     9    7   12 1
    10    7   14 am
    11    7   15 2
    12    8   10 1
    13    8   13 1
    14    9   11 1
    15    9   13 1
    16   10   18 1
    17   11   18 1
    18   12   19 1
    19   13   20 1
    20   16   20 2
    21   17   20 2
    22    1   21 1
    23    2   22 1
    24    3   23 1
    25    4   24 1
    26    8   25 1
    27    8   26 1
    28    9   27 1
    29    9   28 1
    30   10   29 1
    31   10   30 1
    32   11   31 1
    33   11   32 1
    34   12   33 1
    35   12   34 1
    36   14   35 1
    37   14   36 1
@<TRIPOS>SUBSTRUCTURE