@<TRIPOS>MOLECULE
BindingDB_11437
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        11.4093   -9.9636   11.5089  C     
2    C        12.0817   -9.3074   10.5250  C     
3    C        13.2844   -8.6832   10.7852  C     
4    C        13.1997   -9.4568   12.9799  C     
5    C        13.5398   -9.7052   14.3068  C     
6    C        12.4700  -10.4468   14.7971  C     
7    N        10.2750  -10.6780   11.3158  N     
8    C         9.3676  -10.6725   10.3090  C     
9    C         9.2533   -9.6587    9.3225  C     
10   C         8.5256  -11.8078   10.1871  C     
11   C         7.7097  -11.9903    9.0610  C     
12   C         7.7012  -11.0347    8.0175  C     
13   C         8.4744   -9.8553    8.1764  C     
14   S         6.8382  -11.3293    6.5342  S     
15   O         5.5317  -12.1441    6.9233  O     
16   O         6.3922   -9.9237    5.9277  O     
17   N         7.6564  -12.1908    5.3179  N     
18   C         7.1093  -12.1691    3.9878  C     
19   C         9.0410  -12.5332    5.5128  C     
20   N        12.0041  -10.0322   12.7325  N     
21   N        13.8309   -8.7593   11.9934  N     
22   N        11.5782  -10.6255   13.8131  N     
23   C        14.6084   -8.5639    8.8078  C     
24   C        14.3345   -7.9331    7.4100  C     
25   C        14.8981   -8.8401    6.2766  C     
26   C        14.7709   -9.3262   15.0363  C     
27   C        16.0030  -10.0482   14.4346  C     
28   C        14.9556   -7.7891   15.0869  C     
29   O        13.8667   -7.8969    9.8611  O     
30   C        12.8280   -7.6428    7.1563  C     
31   H        11.7290   -9.3376    9.5799  H     
32   H        12.3849  -10.7955   15.7546  H     
33   H        10.1179  -11.3670   11.9810  H     
34   H         9.7937   -8.7807    9.4432  H     
35   H         8.5669  -12.5499   10.8982  H     
36   H         7.1638  -12.8557    8.9756  H     
37   H         8.4657   -9.1482    7.4371  H     
38   H         6.0177  -12.2352    4.0084  H     
39   H         7.4730  -13.0137    3.3986  H     
40   H         7.3944  -11.2428    3.4834  H     
41   H         9.6588  -11.6356    5.4483  H     
42   H         9.3828  -13.2478    4.7608  H     
43   H         9.1819  -12.9966    6.4893  H     
44   H        14.4263   -9.6466    8.7448  H     
45   H        15.6704   -8.4433    9.0390  H     
46   H        14.8637   -6.9788    7.3614  H     
47   H        15.9769   -8.9617    6.3910  H     
48   H        14.7139   -8.3915    5.2994  H     
49   H        14.4258   -9.8272    6.3047  H     
50   H        14.6673   -9.6693   16.0645  H     
51   H        16.0732  -11.0657   14.8166  H     
52   H        16.9210   -9.5257   14.7116  H     
53   H        15.9373  -10.1099   13.3475  H     
54   H        15.2060   -7.4047   14.0965  H     
55   H        15.7675   -7.5336   15.7779  H     
56   H        14.0392   -7.3068   15.4403  H     
57   H        12.2278   -8.5507    7.2654  H     
58   H        12.6801   -7.2527    6.1481  H     
59   H        12.4573   -6.8910    7.8564  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    1   20 1
     4    2    3 1
     5    3   21 2
     6    3   29 1
     7    4    5 2
     8    4   20 1
     9    4   21 1
    10    5    6 1
    11    5   26 1
    12    6   22 2
    13    7    8 1
    14    8    9 1
    15    8   10 2
    16    9   13 2
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   12   14 1
    21   14   15 2
    22   14   16 2
    23   14   17 1
    24   17   18 1
    25   17   19 1
    26   20   22 1
    27   23   24 1
    28   23   29 1
    29   24   25 1
    30   24   30 1
    31   26   27 1
    32   26   28 1
    33    2   31 1
    34    6   32 1
    35    7   33 1
    36    9   34 1
    37   10   35 1
    38   11   36 1
    39   13   37 1
    40   18   38 1
    41   18   39 1
    42   18   40 1
    43   19   41 1
    44   19   42 1
    45   19   43 1
    46   23   44 1
    47   23   45 1
    48   24   46 1
    49   25   47 1
    50   25   48 1
    51   25   49 1
    52   26   50 1
    53   27   51 1
    54   27   52 1
    55   27   53 1
    56   28   54 1
    57   28   55 1
    58   28   56 1
    59   30   57 1
    60   30   58 1
    61   30   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.3637
  Crash		| -9.6956
  Polar		| 3.8383
  FragIndex	| 1
  FragRMSD	| 0.659