@<TRIPOS>MOLECULE
BindingDB_15660
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        41.5341   51.2931  -79.9224  C     
2    C        40.4889   51.7829  -81.8587  C     
3    C        39.7540   50.6502  -81.3529  C     
4    N        41.4792   52.1813  -81.0582  N     
5    C        42.5753   53.1248  -81.3238  C     
6    C        41.7892   55.3637  -80.2434  C     
7    C        41.9047   56.0962  -81.6062  C     
8    C        41.6586   55.1074  -82.7724  C     
9    C        42.6135   53.8816  -82.7010  C     
10   C        42.7862   54.1789  -80.1802  C     
11   O        40.2667   52.1693  -83.0018  O     
12   C        40.1247   50.6409  -79.8496  C     
13   C        39.1113   51.3343  -79.0474  C     
14   O        39.3397   52.4769  -78.6548  O     
15   N        37.9643   50.7125  -78.7645  N     
16   C        36.7970   51.1989  -78.2167  C     
17   C        34.3809   50.8444  -77.7974  C     
18   C        35.6398   50.3732  -78.2535  C     
19   C        36.6433   52.5063  -77.6932  C     
20   C        35.3990   52.9970  -77.2763  C     
21   C        34.2720   52.1685  -77.3419  C     
22   N        33.2255   50.1301  -77.7141  N     
23   C        32.5669   49.7894  -76.6157  C     
24   C        31.1746   49.4333  -76.7804  C     
25   O        33.0356   49.9063  -75.4856  O     
26   H        42.2946   50.5221  -80.1089  H     
27   H        41.7906   51.7876  -78.9851  H     
28   H        38.6743   50.7459  -81.5267  H     
29   H        40.1140   49.7345  -81.8414  H     
30   H        43.4769   52.4968  -81.3266  H     
31   H        42.0116   56.0713  -79.4380  H     
32   H        40.7694   54.9906  -80.1042  H     
33   H        41.1694   56.9062  -81.6526  H     
34   H        42.9057   56.5340  -81.7021  H     
35   H        40.6177   54.7756  -82.7358  H     
36   H        41.8126   55.6218  -83.7245  H     
37   H        43.6347   54.2477  -82.8653  H     
38   H        42.3898   53.1829  -83.5142  H     
39   H        42.7260   53.7164  -79.1927  H     
40   H        43.8007   54.5866  -80.2696  H     
41   H        40.2166   49.6129  -79.4782  H     
42   H        37.9325   49.7738  -79.0164  H     
43   H        35.7097   49.4291  -78.6448  H     
44   H        37.4264   53.1478  -77.6444  H     
45   H        35.3046   53.9527  -76.9255  H     
46   H        33.3774   52.5356  -77.0239  H     
47   H        32.7029   50.0785  -78.5343  H     
48   H        30.6404   50.2406  -77.2966  H     
49   H        30.6853   49.2791  -75.8148  H     
50   H        31.0898   48.5132  -77.3697  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   17   22 1
    23   19   20 1
    24   20   21 2
    25   22   23 am
    26   23   24 1
    27   23   25 2
    28    1   26 1
    29    1   27 1
    30    3   28 1
    31    3   29 1
    32    5   30 1
    33    6   31 1
    34    6   32 1
    35    7   33 1
    36    7   34 1
    37    8   35 1
    38    8   36 1
    39    9   37 1
    40    9   38 1
    41   10   39 1
    42   10   40 1
    43   12   41 1
    44   15   42 1
    45   18   43 1
    46   19   44 1
    47   20   45 1
    48   21   46 1
    49   22   47 1
    50   24   48 1
    51   24   49 1
    52   24   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0524
  Crash		| -1.5569
  Polar		| 1.4073
  FragIndex	| 1
  FragRMSD	| 1.140