@<TRIPOS>MOLECULE
BindingDB_16500
 56 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.8178   16.4628   -5.3953  C     
2    C        17.3555   15.4772   -4.3423  C     
3    O        15.3952   16.3425   -5.4958  O     
4    C        14.5812   17.0735   -6.2978  C     
5    O        15.0444   18.0457   -7.1166  O     
6    C        13.1517   16.7630   -6.3051  C     
7    C        12.1345   17.8804   -6.1662  C     
8    C        10.7748   17.6786   -6.5853  C     
9    O        10.5501   17.1297   -7.6539  O     
10   N         9.8078   18.1717   -5.8209  N     
11   C         8.3947   18.0193   -6.0592  C     
12   C         7.9227   18.7626   -7.2312  C     
13   O         8.6545   19.4828   -7.8758  O     
14   C         7.5792   18.3680   -4.7606  C     
15   C         8.0254   17.5098   -3.5416  C     
16   C         7.5463   19.9040   -4.3994  C     
17   C         6.1258   20.4652   -4.1802  C     
18   O        12.4982   17.0400   -5.0607  O     
19   N         6.6306   18.6175   -7.5917  N     
20   C         5.9259   19.3230   -8.6303  C     
21   C         4.6316   19.8299   -8.1078  C     
22   O         4.0287   19.3432   -7.0139  O     
23   O         3.8973   20.6965   -8.8658  O     
24   C         5.7948   18.3889   -9.8923  C     
25   C         5.0474   17.0537   -9.5950  C     
26   C         5.3280   19.1274  -11.2181  C     
27   C         3.9081   18.8504  -11.7556  C     
28   H        17.0765   17.4811   -5.0986  H     
29   H        17.2801   16.2453   -6.3627  H     
30   H        16.8984   15.6821   -3.3723  H     
31   H        18.4382   15.5850   -4.2522  H     
32   H        17.1259   14.4504   -4.6325  H     
33   H        12.8286   15.8222   -6.7505  H     
34   H        12.4969   18.9007   -6.0360  H     
35   H        10.0864   18.6279   -5.0067  H     
36   H         8.2256   16.9528   -6.2594  H     
37   H         6.5524   18.0458   -4.9708  H     
38   H         8.0545   16.4487   -3.8071  H     
39   H         7.3199   17.6406   -2.7163  H     
40   H         9.0166   17.8036   -3.1917  H     
41   H         8.1226   20.0994   -3.4947  H     
42   H         8.0136   20.5073   -5.1784  H     
43   H         5.4826   20.2440   -5.0324  H     
44   H         6.1657   21.5503   -4.0596  H     
45   H         5.6861   20.0201   -3.2862  H     
46   H         6.1364   17.9517   -7.1050  H     
47   H         6.5007   20.1962   -8.9190  H     
48   H         6.8245   18.0965  -10.1067  H     
49   H         5.5226   16.5386   -8.7395  H     
50   H         5.1129   16.3818  -10.4517  H     
51   H         4.0128   17.2195   -9.3346  H     
52   H         5.4185   20.2035  -11.0946  H     
53   H         6.0280   18.8675  -12.0197  H     
54   H         3.7676   17.8157  -12.0384  H     
55   H         3.7226   19.4282  -12.6687  H     
56   H         3.1527   19.1290  -11.0247  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   24 1
    23   21   22 2
    24   21   23 1
    25   24   25 1
    26   24   26 1
    27   26   27 1
    28    1   28 1
    29    1   29 1
    30    2   30 1
    31    2   31 1
    32    2   32 1
    33    6   33 1
    34    7   34 1
    35   10   35 1
    36   11   36 1
    37   14   37 1
    38   15   38 1
    39   15   39 1
    40   15   40 1
    41   16   41 1
    42   16   42 1
    43   17   43 1
    44   17   44 1
    45   17   45 1
    46   19   46 1
    47   20   47 1
    48   24   48 1
    49   25   49 1
    50   25   50 1
    51   25   51 1
    52   26   52 1
    53   26   53 1
    54   27   54 1
    55   27   55 1
    56   27   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.7914
  Crash		| -1.4295
  Polar		| 5.1300
  FragIndex	| 1
  FragRMSD	| 1.166