@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.8347    7.8878   15.4219  C     
2    C        -1.5607    8.9695   16.2777  C     
3    C        -0.5303    9.8757   15.9650  C     
4    C         0.2043    9.7157   14.7724  C     
5    C        -0.0824    8.6408   13.9053  C     
6    C        -1.0977    7.6955   14.2284  C     
7    C        -1.3833    6.5562   13.3037  C     
8    N        -2.1545    5.4996   13.8713  N     
9    C        -3.4758    5.3619   13.8601  C     
10   O        -4.1511    6.1898   13.2598  O     
11   C        -4.1275    4.3382   14.5782  C     
12   C        -5.5430    4.2157   14.5943  C     
13   C        -3.3861    3.3993   15.3496  C     
14   C        -4.0242    2.3974   16.0983  C     
15   C        -5.4252    2.3132   16.1185  C     
16   C        -6.1828    3.2211   15.3624  C     
17   S        -6.1930    1.0672   17.0588  S     
18   O        -6.0886   -0.2399   16.1556  O     
19   O        -5.4017    0.7425   18.4029  O     
20   N        -7.8444    1.2427   17.3276  N     
21   F         0.6048    8.5291   12.7993  F     
22   F         1.1630   10.5619   14.5069  F     
23   H        -2.5964    7.2524   15.6736  H     
24   H        -2.1066    9.0919   17.1407  H     
25   H        -0.3229   10.6481   16.6092  H     
26   H        -1.8605    6.9463   12.4022  H     
27   H        -0.4345    6.1048   13.0083  H     
28   H        -1.6465    4.7991   14.3100  H     
29   H        -6.1281    4.8475   14.0483  H     
30   H        -2.3644    3.4325   15.3844  H     
31   H        -3.4452    1.7444   16.6335  H     
32   H        -7.2019    3.1771   15.3651  H     
33   H        -8.4198    0.4602   17.2188  H     
34   H        -8.2372    2.1215   17.3373  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    1   23 1
    25    2   24 1
    26    3   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1941
  Crash		| -1.0806
  Polar		| 2.7145
  FragIndex	| 1
  FragRMSD	| 0.858