@<TRIPOS>MOLECULE
BindingDB_14790
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.7054   48.2749  -11.7551  C     
2    C         1.5433   48.6390  -11.0670  C     
3    N         3.7593   48.6661  -11.0240  N     
4    N         3.3562   49.2437   -9.9344  N     
5    C         2.8544   47.5812  -13.0502  C     
6    C         0.2074   48.3919  -11.4650  C     
7    O        -0.0340   47.6322  -12.5559  O     
8    O        -0.8399   48.9367  -10.7900  O     
9    C        -2.2387   48.7461  -11.0382  C     
10   C        -3.0574   49.7301  -10.1748  C     
11   C         4.2472   49.7468   -9.0251  C     
12   C         4.8553   50.9781   -9.3556  C     
13   C         5.7753   51.5896   -8.4882  C     
14   C         6.1092   51.0030   -7.2454  C     
15   C         5.5086   49.7587   -6.9394  C     
16   C         4.5851   49.1046   -7.8004  C     
17   O         4.3579   47.3633   -6.2595  O     
18   C         2.0010   49.2755   -9.9021  C     
19   C         1.1565   49.8533   -8.8299  C     
20   N         4.0714   47.8934   -7.4151  N     
21   O         3.3509   47.2143   -8.0959  O     
22   N         6.9640   51.6231   -6.3720  N     
23   O         7.2321   51.1745   -5.2866  O     
24   O         7.5427   52.7691   -6.6496  O     
25   H         2.4230   46.5814  -12.9783  H     
26   H         3.9087   47.4886  -13.3206  H     
27   H         2.3430   48.1421  -13.8321  H     
28   H        -2.4654   48.9338  -12.0921  H     
29   H        -2.5128   47.7170  -10.7955  H     
30   H        -2.8594   49.5535   -9.1172  H     
31   H        -4.1244   49.5958  -10.3655  H     
32   H        -2.7855   50.7578  -10.4214  H     
33   H         4.6233   51.4466  -10.2345  H     
34   H         6.1785   52.4884   -8.7656  H     
35   H         5.7586   49.3188   -6.0509  H     
36   H         0.5187   50.6389   -9.2369  H     
37   H         1.7624   50.2907   -8.0372  H     
38   H         0.5332   49.0729   -8.3890  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   18 2
     6    3    4 1
     7    4   11 1
     8    4   18 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   22 am
    19   15   16 2
    20   16   20 am
    21   17   20 1
    22   18   19 1
    23   20   21 2
    24   22   23 2
    25   22   24 1
    26    5   25 1
    27    5   26 1
    28    5   27 1
    29    9   28 1
    30    9   29 1
    31   10   30 1
    32   10   31 1
    33   10   32 1
    34   12   33 1
    35   13   34 1
    36   15   35 1
    37   19   36 1
    38   19   37 1
    39   19   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1022
  Crash		| -0.6297
  Polar		| 1.8940
  FragIndex	| 1
  FragRMSD	| 0.657