@<TRIPOS>MOLECULE
BindingDB_13437
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -17.9250   44.9816   48.4240  C     
2    C       -18.8415   45.7496   47.6808  C     
3    C       -19.2528   47.0251   48.1347  C     
4    C       -18.6520   47.5504   49.2978  C     
5    N       -20.2343   47.6601   47.4239  N     
6    O       -19.7291   50.3303   47.1236  O     
7    S       -20.8725   49.2025   47.6665  S     
8    O       -22.2908   49.3796   46.7524  O     
9    O       -21.1832   49.5178   49.2951  O     
10   C       -17.7041   46.8045   50.0316  C     
11   C       -17.3765   45.4926   49.6253  C     
12   C       -17.0898   47.3857   51.2574  C     
13   C       -16.6251   44.6399   50.5652  C     
14   C       -15.5115   45.4071   51.3459  C     
15   N       -16.0026   46.6623   51.9139  N     
16   C       -14.2769   45.5639   50.5723  C     
17   O       -13.6381   44.5477   50.2981  O     
18   N       -13.8000   46.7488   50.2060  N     
19   C       -12.5832   46.9736   49.4982  C     
20   C       -15.4242   47.1940   53.0175  C     
21   O       -14.4504   46.6564   53.5376  O     
22   C       -15.3771   48.9840   54.7489  C     
23   N       -15.9085   48.2857   53.6158  N     
24   C       -14.3098   49.9500   54.3757  C     
25   C       -14.5544   50.9372   53.3913  C     
26   C       -13.5533   51.8476   53.0165  C     
27   C       -12.2949   51.8108   53.6527  C     
28   C       -12.0482   50.8651   54.6594  C     
29   C       -13.0458   49.9375   55.0212  C     
30   H       -17.6904   44.0379   48.1108  H     
31   H       -19.2392   45.3472   46.8275  H     
32   H       -18.9020   48.4819   49.6250  H     
33   H       -20.6043   47.1727   46.6716  H     
34   H       -16.6991   48.3702   50.9800  H     
35   H       -17.9034   47.5290   51.9749  H     
36   H       -17.3556   44.2787   51.2951  H     
37   H       -16.2190   43.7526   50.0722  H     
38   H       -15.2689   44.7365   52.1786  H     
39   H       -14.3099   47.5404   50.4413  H     
40   H       -11.7279   46.5911   50.0622  H     
41   H       -12.4424   48.0440   49.3482  H     
42   H       -12.6004   46.4856   48.5211  H     
43   H       -16.2006   49.5564   55.1897  H     
44   H       -15.0418   48.2643   55.5039  H     
45   H       -16.7028   48.6843   53.2184  H     
46   H       -15.4679   50.9892   52.9316  H     
47   H       -13.7366   52.5434   52.2891  H     
48   H       -11.5697   52.4781   53.3852  H     
49   H       -11.1414   50.8508   55.1367  H     
50   H       -12.8474   49.2590   55.7599  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   11 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4   10 2
     7    5    7 1
     8    6    7 1
     9    7    8 2
    10    7    9 2
    11   10   11 1
    12   10   12 1
    13   11   13 1
    14   12   15 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   15   20 1
    19   16   17 2
    20   16   18 am
    21   18   19 1
    22   20   21 2
    23   20   23 am
    24   22   23 1
    25   22   24 1
    26   24   25 2
    27   24   29 1
    28   25   26 1
    29   26   27 2
    30   27   28 1
    31   28   29 2
    32    1   30 1
    33    2   31 1
    34    4   32 1
    35    5   33 1
    36   12   34 1
    37   12   35 1
    38   13   36 1
    39   13   37 1
    40   14   38 1
    41   18   39 1
    42   19   40 1
    43   19   41 1
    44   19   42 1
    45   22   43 1
    46   22   44 1
    47   23   45 1
    48   25   46 1
    49   26   47 1
    50   27   48 1
    51   28   49 1
    52   29   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.1412
  Crash		| -1.5136
  Polar		| 2.6759
  FragIndex	| 1
  FragRMSD	| 0.808