@<TRIPOS>MOLECULE
BindingDB_11455
 59 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.2169  -12.8302    9.3503  C     
2    C         9.2454  -12.6143   10.2832  C     
3    C         9.7138  -11.3111   10.5650  C     
4    C         9.0520  -10.2225    9.9510  C     
5    C         8.0356  -10.4347    9.0043  C     
6    C         7.6196  -11.7425    8.6710  C     
7    N        10.7582  -11.2071   11.4275  N     
8    C        11.6063  -10.1925   11.6713  C     
9    C        12.1002   -9.3648   10.7114  C     
10   C        13.2202   -8.5674   10.9923  C     
11   C        13.1553   -9.2886   13.2277  C     
12   C        12.6124  -10.3232   15.0029  C     
13   N        13.7107   -8.5178   12.2611  N     
14   N        12.1518  -10.1388   12.9218  N     
15   N        11.8334  -10.7895   14.0111  N     
16   N        13.4500   -9.3905   14.5301  N     
17   S         6.3846  -12.0170    7.4654  S     
18   O         6.3358  -13.5626    7.0812  O     
19   O         4.9714  -11.7614    8.1418  O     
20   N        13.9443   -7.9303   10.0344  N     
21   C        13.7702   -7.9583    8.6020  C     
22   C        12.5531   -7.0947    8.1179  C     
23   C        12.3011   -7.2123    6.5909  C     
24   C        12.2306   -8.6981    6.1469  C     
25   C        13.5572   -9.4186    6.4798  C     
26   C        13.8360   -9.4138    8.0177  C     
27   N        11.8916   -8.7971    4.7203  N     
28   C         6.5267  -11.0394    6.0223  C     
29   C         6.7755   -9.4673    3.6735  C     
30   C         6.6260   -8.8506    4.9294  C     
31   C         6.4871   -9.6261    6.0904  C     
32   C         6.6775  -11.6518    4.7537  C     
33   C         6.7859  -10.8762    3.5893  C     
34   H         7.9171  -13.7919    9.1585  H     
35   H         9.6881  -13.4241   10.7283  H     
36   H         9.2879   -9.2563   10.1964  H     
37   H         7.6058   -9.6184    8.5617  H     
38   H        10.9601  -12.0259   11.9147  H     
39   H        11.8303   -9.3895    9.7316  H     
40   H        12.5717  -10.6348   15.9725  H     
41   H        14.7281   -7.4495   10.3527  H     
42   H        14.6537   -7.4456    8.2068  H     
43   H        11.6231   -7.3637    8.6360  H     
44   H        12.7504   -6.0421    8.3570  H     
45   H        11.3638   -6.7121    6.3407  H     
46   H        13.1064   -6.6986    6.0539  H     
47   H        11.4289   -9.2009    6.6969  H     
48   H        13.5213  -10.4498    6.1284  H     
49   H        14.3833   -8.9317    5.9489  H     
50   H        14.8513   -9.7745    8.1607  H     
51   H        13.1572  -10.1262    8.5829  H     
52   H        10.9753   -8.3719    4.5646  H     
53   H        11.8530   -9.7870    4.4592  H     
54   H        12.5936   -8.3146    4.1539  H     
55   H         6.8684   -8.9023    2.8280  H     
56   H         6.6152   -7.8275    4.9864  H     
57   H         6.3416   -9.1522    6.9899  H     
58   H         6.7078  -12.6711    4.6689  H     
59   H         6.8840  -11.3259    2.6766  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   17 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   20 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 2
    22   17   19 2
    23   17   28 1
    24   21   20 1
    25   21   22 1
    26   21   26 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   24   27 1
    31   25   26 1
    32   28   31 2
    33   28   32 1
    34   29   30 2
    35   29   33 1
    36   30   31 1
    37   32   33 2
    38    1   34 1
    39    2   35 1
    40    4   36 1
    41    5   37 1
    42    7   38 1
    43    9   39 1
    44   12   40 1
    45   20   41 1
    46   21   42 1
    47   22   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   25   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   27   54 1
    59   29   55 1
    60   30   56 1
    61   31   57 1
    62   32   58 1
    63   33   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8555
  Crash		| -2.1031
  Polar		| 3.3488
  FragIndex	| 1
  FragRMSD	| 0.745