@<TRIPOS>MOLECULE
FDBD01248
 36 37 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1 S          -1.9571   -0.7478   -1.0576 S.3     1   UNK        -0.1258
      2 O           4.8684   -2.0933   -0.1666 O.3     1   UNK        -0.3912
      3 O1          2.4921    1.5454    1.4405 O.2     1   UNK        -0.2748
      4 O2          0.4368    3.0473   -0.7327 O.co2   1   UNK        -0.5433
      5 O3         -1.4447    2.1400    0.1986 O.co2   1   UNK        -0.5433
      6 N           1.6600    0.6474   -0.5773 N.am    1   UNK        -0.2645
      7 N1         -4.6317   -0.4415    0.4103 N.2     1   UNK        -0.2761
      8 N2         -6.9727    0.1637    0.1804 N.pl3   1   UNK        -0.3494
      9 C           2.0749   -0.7218   -0.9541 C.3     1   UNK         0.0491
     10 C1          2.9790   -0.6941    0.3080 C.3     1   UNK         0.0809
     11 C2          0.7602   -1.5035   -1.0527 C.3     1   UNK        -0.0000
     12 C3          2.4146    0.7225    0.5561 C.2     1   UNK         0.2275
     13 C4          4.4738   -0.7475    0.1011 C.3     1   UNK         0.0653
     14 C5          0.2990    0.7530   -0.6299 C.2     1   UNK         0.0684
     15 C6         -0.2794   -0.4196   -0.9173 C.2     1   UNK         0.0104
     16 C7          5.2198   -0.2465    1.3325 C.3     1   UNK        -0.0382
     17 C8         -0.3514    2.0251   -0.3325 C.2     1   UNK         0.0867
     18 C9         -2.3392   -1.2005    0.6506 C.3     1   UNK         0.0176
     19 C10        -3.8027   -1.5891    0.7894 C.3     1   UNK         0.0504
     20 C11        -5.8997   -0.6393    0.4534 C.2     1   UNK         0.0732
     21 H           4.3972   -2.4187   -0.9495 H       1   UNK         0.2098
     22 H1         -7.8874   -0.1870    0.2778 H       1   UNK         0.1431
     23 H2         -6.8303    1.0924   -0.1135 H       1   UNK         0.1431
     24 H3          2.5601   -1.1000   -1.8296 H       1   UNK         0.0516
     25 H4          2.9403   -1.4835    1.0293 H       1   UNK         0.0438
     26 H5          0.6766   -2.2195   -0.2620 H       1   UNK         0.0337
     27 H6          0.6689   -2.0696   -1.9561 H       1   UNK         0.0337
     28 H7          4.7188   -0.1152   -0.7266 H       1   UNK         0.0598
     29 H8          4.9847   -0.8696    2.1700 H       1   UNK         0.0255
     30 H9          4.9249    0.7603    1.5431 H       1   UNK         0.0255
     31 H10         6.2734   -0.2785    1.1488 H       1   UNK         0.0255
     32 H11        -2.1353   -0.3664    1.2890 H       1   UNK         0.0398
     33 H12        -1.7333   -2.0376    0.9283 H       1   UNK         0.0398
     34 H13        -4.0180   -2.4168    0.1464 H       1   UNK         0.0517
     35 H14        -4.0107   -1.8709    1.8004 H       1   UNK         0.0517
     36 H15        -6.1606   -1.5918    0.7530 H       1   UNK         0.0990
@<TRIPOS>BOND
     1     1    15    1
     2     1    18    1
     3     2    13    1
     4     3    12    2
     5     4    17   ar
     6     5    17   ar
     7     6     9    1
     8     6    12   am
     9     6    14    1
    10     7    19    1
    11     7    20    2
    12     8    20    1
    13     9    10    1
    14     9    11    1
    15    10    12    1
    16    10    13    1
    17    11    15    1
    18    13    16    1
    19    14    15    2
    20    14    17    1
    21    18    19    1
    22     2    21    1
    23     8    22    1
    24     8    23    1
    25     9    24    1
    26    10    25    1
    27    11    26    1
    28    11    27    1
    29    13    28    1
    30    16    29    1
    31    16    30    1
    32    16    31    1
    33    18    32    1
    34    18    33    1
    35    19    34    1
    36    19    35    1
    37    20    36    1