@<TRIPOS>MOLECULE
BindingDB_14016
 61 66 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.4875  137.2109   -1.9077  C     
2    C        18.2781  136.4451   -3.9104  C     
3    C        19.4549  137.1215   -3.1845  C     
4    O        16.6859  137.4894   -1.0303  O     
5    C        18.8564  137.6554   -1.8566  C     
6    N        19.6152  137.3077   -0.5956  N     
7    N        17.1753  136.5658   -3.0163  N     
8    C        15.9141  136.1569   -3.3793  C     
9    C        15.0647  137.1147   -3.9867  C     
10   C        13.7768  136.7475   -4.4215  C     
11   C        13.3282  135.4277   -4.2729  C     
12   C        15.4596  134.8249   -3.2061  C     
13   C        14.1630  134.4545   -3.6736  C     
14   C        16.2553  133.8409   -2.5715  C     
15   C        13.7211  133.1244   -3.5326  C     
16   C        14.5356  132.1585   -2.9098  C     
17   C        15.8113  132.5088   -2.4295  C     
18   C        19.6365  135.8433   -0.2213  C     
19   O        16.4970  131.5262   -1.7568  O     
20   C        20.3578  135.5305    1.1273  C     
21   C        19.9670  134.2458    1.7590  C     
22   C        19.6440  132.1572    2.2853  C     
23   C        19.1870  134.1610    2.9068  C     
24   C        17.8632  131.4824   -1.9162  C     
25   C        18.6462  131.9844   -0.8595  C     
26   C        18.5012  130.9243   -3.0604  C     
27   C        19.9183  130.8932   -3.1185  C     
28   C        20.6830  131.4098   -2.0488  C     
29   C        20.0630  131.9654   -0.9009  C     
30   C        20.9185  132.5057    0.1993  C     
31   C        17.8089  130.4581   -4.0513  C     
32   N        17.1603  130.0138   -4.9047  N     
33   N        20.2151  132.9732    1.3739  N     
34   N        19.0100  132.8726    3.2237  N     
35   C        20.9443  137.9827   -0.5590  C     
36   H        18.0693  136.9458   -4.8666  H     
37   H        18.5010  135.3901   -4.1082  H     
38   H        20.2610  136.4039   -3.0105  H     
39   H        19.8608  137.9485   -3.7831  H     
40   H        18.7956  138.7459   -1.9201  H     
41   H        19.0812  137.7525    0.1536  H     
42   H        15.3732  138.0737   -4.1265  H     
43   H        13.1720  137.4438   -4.8586  H     
44   H        12.3920  135.1817   -4.5947  H     
45   H        17.1732  134.0938   -2.1904  H     
46   H        12.8017  132.8439   -3.8618  H     
47   H        14.1930  131.2021   -2.8060  H     
48   H        18.6018  135.5134   -0.1219  H     
49   H        20.0835  135.2426   -1.0196  H     
50   H        21.4334  135.5043    0.9638  H     
51   H        20.1305  136.3422    1.8230  H     
52   H        19.6520  131.1338    2.2539  H     
53   H        18.7994  134.9452    3.4318  H     
54   H        18.1602  132.3922   -0.0525  H     
55   H        20.3954  130.5241   -3.9426  H     
56   H        21.7052  131.3651   -2.1147  H     
57   H        21.6315  131.7314    0.5112  H     
58   H        21.5158  133.3191   -0.2241  H     
59   H        21.3389  138.0032    0.4578  H     
60   H        20.8715  139.0289   -0.8633  H     
61   H        21.6761  137.4855   -1.2035  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 1
     5    2    7 1
     6    3    5 1
     7    5    6 1
     8    6   18 1
     9    6   35 1
    10    7    8 1
    11    8    9 2
    12    8   12 1
    13    9   10 1
    14   10   11 2
    15   11   13 1
    16   12   13 2
    17   12   14 1
    18   13   15 1
    19   14   17 2
    20   15   16 2
    21   16   17 1
    22   17   19 1
    23   18   20 1
    24   19   24 1
    25   20   21 1
    26   21   23 2
    27   21   33 1
    28   22   33 1
    29   22   34 2
    30   23   34 1
    31   24   25 2
    32   24   26 1
    33   25   29 1
    34   26   27 2
    35   26   31 1
    36   27   28 1
    37   28   29 2
    38   29   30 1
    39   30   33 1
    40   31   32 3
    41    2   36 1
    42    2   37 1
    43    3   38 1
    44    3   39 1
    45    5   40 1
    46    6   41 1
    47    9   42 1
    48   10   43 1
    49   11   44 1
    50   14   45 1
    51   15   46 1
    52   16   47 1
    53   18   48 1
    54   18   49 1
    55   20   50 1
    56   20   51 1
    57   22   52 1
    58   23   53 1
    59   25   54 1
    60   27   55 1
    61   28   56 1
    62   30   57 1
    63   30   58 1
    64   35   59 1
    65   35   60 1
    66   35   61 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3919
  Crash		| -0.1413
  Polar		| 2.9063
  FragIndex	| 1
  FragRMSD	| 0.628