@<TRIPOS>MOLECULE
BindingDB_50316316
 56 60 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N         0.6780    8.1643   13.4406  N     
2    C         0.3560    7.0332   12.7822  C     
3    N         2.1099    6.5550   14.0586  N     
4    C         1.2448    6.0246   13.1687  C     
5    C        -0.0748    9.4061   13.4516  C     
6    N        -0.6767    6.7623   11.9294  N     
7    C         1.7309    7.8393   14.2273  C     
8    C         1.0545    4.7489   12.6456  C     
9    N         0.0141    4.5093   11.8484  N     
10   C        -0.1632   10.2044   12.1240  C     
11   C        -0.8492    5.4944   11.4680  C     
12   O         0.4574   10.3729   14.3736  O     
13   P         4.4339   12.0432   14.9144  P     
14   C         1.4817   11.0963   13.6741  C     
15   C         0.8834   11.3405   12.2711  C     
16   C         3.1914    5.9248   14.7668  C     
17   C         1.9129   12.3618   14.4731  C     
18   O         3.2643   12.7753   14.1866  O     
19   O         1.7607    3.8040   12.9548  O     
20   O         4.0829   10.6799   15.5469  O     
21   O         5.0068   12.9347   16.0263  O     
22   O         5.5089   11.8500   13.9758  O     
23   C         4.4944    6.2147   14.1129  C     
24   C         6.2998    5.5895   12.5713  C     
25   C         5.0782    5.2950   13.2096  C     
26   N        -1.8879    5.1950   10.6729  N     
27   O         0.0142    9.3936   10.9614  O     
28   C         6.9554    6.8256   12.8351  C     
29   C         6.3774    7.7456   13.7319  C     
30   O         1.9143   11.3104   11.2781  O     
31   C         5.1652    7.4345   14.3659  C     
32   C         6.8821    4.7098   11.6496  C     
33   C         8.1765    7.0790   12.2007  C     
34   C         8.0381    5.0206   11.0358  C     
35   C         8.6941    6.1852   11.3310  C     
36   H        -1.0810    9.1574   13.8004  H     
37   H         2.1547    8.4653   14.9114  H     
38   H        -0.1448    3.5947   11.5524  H     
39   H        -1.1624   10.6521   12.0459  H     
40   H         2.3663   10.4564   13.5737  H     
41   H         0.3892   12.3213   12.2150  H     
42   H         3.2240    6.2801   15.7984  H     
43   H         3.0217    4.8524   14.8367  H     
44   H         1.2613   13.1931   14.2076  H     
45   H         1.7566   12.2004   15.5418  H     
46   H         4.6052    4.4112   12.9981  H     
47   H        -2.0298    4.2727   10.3991  H     
48   H        -2.5161    5.8826   10.3999  H     
49   H        -0.2644    9.9456   10.2123  H     
50   H         6.8369    8.6382   13.9318  H     
51   H         1.5538   11.8326   10.5251  H     
52   H         4.7646    8.1082   15.0229  H     
53   H         6.4328    3.8488   11.4243  H     
54   H         8.6769    7.9141   12.3985  H     
55   H         8.4146    4.3972   10.3570  H     
56   H         9.5694    6.3761   10.9056  H     
@<TRIPOS>BOND
     1    1    2 1
     2    5    1 1
     3    1    7 1
     4    2    4 2
     5    2    6 1
     6    3    7 2
     7    3   16 1
     8    3    4 1
     9    4    8 1
    10    5   10 1
    11    5   12 1
    12    6   11 2
    13    8   19 2
    14    8    9 1
    15    9   11 1
    16   10   15 1
    17   10   27 1
    18   11   26 1
    19   12   14 1
    20   13   18 1
    21   13   20 1
    22   13   21 1
    23   13   22 2
    24   14   17 1
    25   14   15 1
    26   15   30 1
    27   16   23 1
    28   17   18 1
    29   23   25 1
    30   23   31 2
    31   24   25 2
    32   24   28 1
    33   24   32 1
    34   28   33 1
    35   28   29 2
    36   29   31 1
    37   32   34 2
    38   33   35 2
    39   34   35 1
    40    5   36 1
    41    7   37 1
    42    9   38 1
    43   10   39 1
    44   14   40 1
    45   15   41 1
    46   16   42 1
    47   16   43 1
    48   17   44 1
    49   17   45 1
    50   25   46 1
    51   26   47 1
    52   26   48 1
    53   27   49 1
    54   29   50 1
    55   30   51 1
    56   31   52 1
    57   32   53 1
    58   33   54 1
    59   34   55 1
    60   35   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.9682
  Crash		| -2.4799
  Polar		| 6.4732
  FragIndex	| 1
  FragRMSD	| 1.375