@<TRIPOS>MOLECULE
BindingDB_5546
 56 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.5649   -9.1426   11.4866  C     
2    C        10.8778  -10.7989   11.9686  C     
3    N        11.5110  -11.1383   13.1312  N     
4    N        11.4152   -9.8205   11.1852  N     
5    C        13.2043   -9.5000   12.6818  C     
6    C        12.6578  -10.4981   13.4874  C     
7    C        14.4690   -9.7333   14.3973  C     
8    N        14.3204   -9.0322   13.2587  N     
9    N        13.4704  -10.6180   14.5462  N     
10   O        13.0843   -8.1307   10.7100  O     
11   N         9.7328  -11.4293   11.6201  N     
12   C        12.4724   -7.9072    9.4210  C     
13   C        13.2235   -6.7965    8.6312  C     
14   C        14.7723   -5.8427    6.2153  C     
15   C        15.4802   -6.1124    7.5682  C     
16   C        14.7222   -7.1690    8.4132  C     
17   C        12.5281   -6.5088    7.2621  C     
18   C        13.2889   -5.4477    6.4256  C     
19   C         8.9047  -11.2165   10.5517  C     
20   C         8.0253   -9.8765    8.6903  C     
21   C         7.1851  -10.9359    8.2986  C     
22   C         7.1674  -12.1196    9.0692  C     
23   C         8.0197  -12.2520   10.1833  C     
24   C         8.8629  -10.0062    9.8084  C     
25   S         6.1921  -10.7169    6.8822  S     
26   O         5.2354  -11.9497    6.5773  O     
27   O         5.2620   -9.5028    7.3244  O     
28   N         7.0915  -10.2766    5.5106  N     
29   C         8.4465  -10.7366    5.4028  C     
30   C         6.6405   -9.1859    4.6963  C     
31   H        15.2450   -9.6075   15.0502  H     
32   H        13.3603  -11.2209   15.2992  H     
33   H         9.4670  -12.1683   12.1923  H     
34   H        12.4788   -8.8328    8.8322  H     
35   H        11.4299   -7.5941    9.5539  H     
36   H        13.1821   -5.8812    9.2304  H     
37   H        15.2861   -5.0360    5.6890  H     
38   H        14.8277   -6.7391    5.5900  H     
39   H        16.4964   -6.4667    7.3815  H     
40   H        15.5504   -5.1776    8.1346  H     
41   H        15.2240   -7.2656    9.3804  H     
42   H        14.7862   -8.1377    7.9067  H     
43   H        12.4626   -7.4345    6.6830  H     
44   H        11.5080   -6.1507    7.4354  H     
45   H        13.2410   -4.4808    6.9347  H     
46   H        12.8019   -5.3372    5.4515  H     
47   H         8.0351   -8.9966    8.1691  H     
48   H         6.5422  -12.8930    8.8271  H     
49   H         8.0028  -13.1269   10.7210  H     
50   H         9.4306   -9.2001   10.0776  H     
51   H         9.1115  -10.0686    5.9541  H     
52   H         8.7680  -10.7631    4.3601  H     
53   H         8.5553  -11.7485    5.8017  H     
54   H         5.5651   -9.2529    4.5135  H     
55   H         7.1311   -9.1874    3.7215  H     
56   H         6.8547   -8.2364    5.1883  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   10 1
     4    2    3 1
     5    2    4 2
     6    2   11 1
     7    3    6 2
     8    5    6 1
     9    5    8 1
    10    6    9 1
    11    7    8 2
    12    7    9 1
    13   10   12 1
    14   11   19 1
    15   12   13 1
    16   13   16 1
    17   13   17 1
    18   14   15 1
    19   14   18 1
    20   15   16 1
    21   17   18 1
    22   19   23 1
    23   19   24 2
    24   20   21 2
    25   20   24 1
    26   21   22 1
    27   21   25 1
    28   22   23 2
    29   25   26 2
    30   25   27 2
    31   25   28 1
    32   28   29 1
    33   28   30 1
    34    7   31 1
    35    9   32 1
    36   11   33 1
    37   12   34 1
    38   12   35 1
    39   13   36 1
    40   14   37 1
    41   14   38 1
    42   15   39 1
    43   15   40 1
    44   16   41 1
    45   16   42 1
    46   17   43 1
    47   17   44 1
    48   18   45 1
    49   18   46 1
    50   20   47 1
    51   22   48 1
    52   23   49 1
    53   24   50 1
    54   29   51 1
    55   29   52 1
    56   29   53 1
    57   30   54 1
    58   30   55 1
    59   30   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.2292
  Crash		| -1.1814
  Polar		| 4.0978
  FragIndex	| 1
  FragRMSD	| 0.308