@<TRIPOS>MOLECULE
BindingDB_50184032
 50 53 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.6144   11.9092    3.7933  N     
2    C         0.0410   11.6239    4.9978  C     
3    C         1.8407   11.4334    3.4460  C     
4    C         2.5343   10.6394    4.3739  C     
5    C         1.9588   10.3747    5.6160  C     
6    N         2.7898    9.5872    6.3393  N     
7    C         3.8803    9.3420    5.5666  C     
8    C         3.7498    9.9791    4.3378  C     
9    N        -1.1937   12.1196    5.2436  N     
10   C        -1.9812   11.8944    6.3352  C     
11   C        -2.0055   10.6597    7.0214  C     
12   C        -2.8327   10.4698    8.1438  C     
13   C        -3.7342   11.4900    8.5259  C     
14   C        -3.7489   12.7154    7.8212  C     
15   C        -2.8575   12.9183    6.7467  C     
16   N         0.7266   10.8632    5.8997  N     
17   O        -4.5679   13.7325    8.2302  O     
18   C        -5.7375   13.8976    7.4109  C     
19   O        -4.5365   11.3436    9.6293  O     
20   C        -5.5925   10.3723    9.5004  C     
21   O        -2.8208    9.2772    8.8199  O     
22   C        -1.5983    8.9937    9.5230  C     
23   C         2.5700    9.0878    7.6065  C     
24   C         1.9149    9.8601    8.5990  C     
25   C         1.7227    9.3636    9.9017  C     
26   C         2.1615    8.0704   10.2314  C     
27   C         2.7894    7.2715    9.2569  C     
28   C         2.9978    7.7831    7.9600  C     
29   N         3.1727    6.0207    9.5625  N     
30   H         2.2336   11.6431    2.5300  H     
31   H         4.6914    8.7717    5.8243  H     
32   H         4.4079    9.9476    3.5586  H     
33   H        -1.5520   12.7283    4.5791  H     
34   H        -1.4290    9.8829    6.6999  H     
35   H        -2.8493   13.8166    6.2557  H     
36   H        -5.4708   14.1454    6.3821  H     
37   H        -6.3243   14.7221    7.8170  H     
38   H        -6.3677   13.0068    7.4150  H     
39   H        -6.2320   10.5838    8.6411  H     
40   H        -6.2066   10.4223   10.4004  H     
41   H        -5.2009    9.3574    9.4167  H     
42   H        -0.7755    8.8299    8.8222  H     
43   H        -1.7353    8.0747   10.0993  H     
44   H        -1.3374    9.8006   10.2158  H     
45   H         1.5907   10.8068    8.3883  H     
46   H         1.2627    9.9393   10.6100  H     
47   H         2.0174    7.7139   11.1812  H     
48   H         3.4562    7.1918    7.2634  H     
49   H         3.5722    5.4562    8.8834  H     
50   H         3.0171    5.6716   10.4535  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    2    9 1
     4    2   16 2
     5    3    4 1
     6    4    5 2
     7    4    8 1
     8    5    6 1
     9    5   16 1
    10    6    7 1
    11    6   23 1
    12    7    8 2
    13    9   10 1
    14   10   11 1
    15   10   15 2
    16   11   12 2
    17   12   13 1
    18   12   21 1
    19   13   14 2
    20   13   19 1
    21   14   15 1
    22   14   17 1
    23   17   18 1
    24   19   20 1
    25   21   22 1
    26   23   24 2
    27   23   28 1
    28   24   25 1
    29   25   26 2
    30   26   27 1
    31   27   28 2
    32   27   29 1
    33    3   30 1
    34    7   31 1
    35    8   32 1
    36    9   33 1
    37   11   34 1
    38   15   35 1
    39   18   36 1
    40   18   37 1
    41   18   38 1
    42   20   39 1
    43   20   40 1
    44   20   41 1
    45   22   42 1
    46   22   43 1
    47   22   44 1
    48   24   45 1
    49   25   46 1
    50   26   47 1
    51   28   48 1
    52   29   49 1
    53   29   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8328
  Crash		| -0.9656
  Polar		| 2.0364
  FragIndex	| 1
  FragRMSD	| 0.145