@<TRIPOS>MOLECULE
BindingDB_50224893
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.6991    9.7211  -20.8033  C     
2    C         1.3949    9.1259  -19.7367  C     
3    C         0.7042    8.7644  -18.5670  C     
4    C        -0.6891    8.9711  -18.4626  C     
5    C        -1.3947    9.6124  -19.5118  C     
6    C        -0.6832    9.9554  -20.6869  C     
7    N        -2.7372    9.8629  -19.3395  N     
8    C        -3.4513   10.8865  -19.8071  C     
9    N        -4.7515   11.0707  -19.6142  N     
10   O        -2.9109   11.7942  -20.4227  O     
11   C        -5.6520   10.2653  -18.9961  C     
12   N        -5.3566    9.0455  -18.4755  N     
13   C        -6.2564    8.2308  -17.8562  C     
14   C        -7.5881    8.6917  -17.7722  C     
15   N        -7.9000    9.9056  -18.2902  N     
16   C        -6.9872   10.7011  -18.8986  C     
17   C        -8.5207    7.9742  -17.2260  C     
18   N        -9.3645    7.3513  -16.7564  N     
19   O        -5.9376    6.9945  -17.3475  O     
20   O        -1.3533    8.6285  -17.3099  O     
21   C        -1.4106    7.2185  -17.0295  C     
22   C        -4.5613    6.6188  -17.2218  C     
23   C        -2.3962    6.9571  -15.8707  C     
24   C        -3.8545    7.3996  -16.0947  C     
25   Cl        1.5117   10.2145  -22.2097  Cl    
26   O         2.7301    8.9049  -19.8006  O     
27   H         1.2269    8.3731  -17.7799  H     
28   H        -1.1747   10.3717  -21.4801  H     
29   H        -3.1989    9.2609  -18.7358  H     
30   H        -5.1218   11.8997  -19.9816  H     
31   H        -7.2941   11.6027  -19.2751  H     
32   H        -1.7031    6.6461  -17.9143  H     
33   H        -0.4252    6.8752  -16.7191  H     
34   H        -4.5347    5.5557  -16.9694  H     
35   H        -4.0544    6.7462  -18.1794  H     
36   H        -2.3842    5.8885  -15.6385  H     
37   H        -2.0439    7.4990  -14.9941  H     
38   H        -3.8723    8.4707  -16.3044  H     
39   H        -4.4120    7.2369  -15.1675  H     
40   H         3.1239    9.7531  -19.4820  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   25 1
     4    2    3 1
     5    2   26 1
     6    3    4 2
     7    4    5 1
     8    4   20 1
     9    5    6 2
    10    5    7 1
    11    7    8 1
    12    8    9 1
    13    8   10 2
    14    9   11 1
    15   11   12 2
    16   11   16 1
    17   12   13 1
    18   13   14 2
    19   13   19 1
    20   14   15 1
    21   14   17 1
    22   15   16 2
    23   17   18 3
    24   19   22 1
    25   20   21 1
    26   21   23 1
    27   22   24 1
    28   23   24 1
    29    3   27 1
    30    6   28 1
    31    7   29 1
    32    9   30 1
    33   16   31 1
    34   21   32 1
    35   21   33 1
    36   22   34 1
    37   22   35 1
    38   23   36 1
    39   23   37 1
    40   24   38 1
    41   24   39 1
    42   26   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.7980
  Crash		| -2.9037
  Polar		| 1.5321
  FragIndex	| 1
  FragRMSD	| 1.043