@<TRIPOS>MOLECULE
BindingDB_7762
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -8.4150   52.3683   15.8669  C     
2    C        -8.7568   50.5008   14.3277  C     
3    C        -9.3123   50.3339   13.0730  C     
4    C        -8.9101   51.8473   14.6611  C     
5    N        -9.5575   52.4447   13.6584  N     
6    C        -9.8078   51.5546   12.7247  C     
7    O       -10.4187   51.8498   11.7037  O     
8    N        -9.7632   49.0958   11.1125  N     
9    C        -9.6709   48.0586   10.2358  C     
10   C        -9.5619   46.0262    8.2246  C     
11   C       -10.2480   47.2369    7.9929  C     
12   C       -10.2915   48.2403    8.9789  C     
13   C        -9.0024   46.8296   10.4691  C     
14   C        -8.9431   45.8337    9.4797  C     
15   O        -8.7513   45.5461    5.6755  O     
16   S        -9.4242   44.8533    6.9356  S     
17   O        -8.4428   43.6843    7.3760  O     
18   C        -7.7686   51.4936   16.7641  C     
19   C        -9.2825   49.1920   12.3534  C     
20   N       -10.8531   44.0821    6.4755  N     
21   C        -7.6289   50.1243   16.4529  C     
22   C        -8.1172   49.6216   15.2283  C     
23   C       -11.9771   44.7762    5.9705  C     
24   H        -8.5132   53.3585   16.0789  H     
25   H        -9.8334   53.3755   13.6387  H     
26   H       -10.2503   49.8663   10.7830  H     
27   H       -10.7256   47.4055    7.1021  H     
28   H       -10.7851   49.1154    8.7648  H     
29   H        -8.5497   46.6475   11.3638  H     
30   H        -8.4334   44.9657    9.6797  H     
31   H        -7.3986   51.8519   17.6473  H     
32   H        -8.8578   48.4003   12.7628  H     
33   H       -10.8966   43.1096    6.5474  H     
34   H        -7.1677   49.4982   17.1162  H     
35   H        -8.0093   48.6278   15.0094  H     
36   H       -12.3297   45.4915    6.7131  H     
37   H       -12.7770   44.0583    5.7579  H     
38   H       -11.7219   45.2983    5.0477  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   22 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   20 1
    23   18   21 2
    24   20   23 1
    25   21   22 1
    26    1   24 1
    27    5   25 1
    28    8   26 1
    29   11   27 1
    30   12   28 1
    31   13   29 1
    32   14   30 1
    33   18   31 1
    34   19   32 1
    35   20   33 1
    36   21   34 1
    37   22   35 1
    38   23   36 1
    39   23   37 1
    40   23   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0056
  Crash		| -0.7035
  Polar		| 2.4315
  FragIndex	| 1
  FragRMSD	| 0.395