@<TRIPOS>MOLECULE
BindingDB_16502
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.4358   15.9585   -5.5397  C     
2    C        14.2697   16.7779   -6.3829  C     
3    O        14.7288   17.7208   -7.0162  O     
4    C        12.8399   16.6285   -6.3602  C     
5    C        11.9676   17.8738   -6.3492  C     
6    C        10.5763   17.8156   -6.7092  C     
7    O        10.2493   17.1921   -7.7150  O     
8    N         9.6986   18.4034   -5.9093  N     
9    C         8.2734   18.2086   -5.9443  C     
10   C         7.6065   19.0288   -6.9750  C     
11   O         7.7471   20.2492   -6.8801  O     
12   C         7.6360   18.3489   -4.5066  C     
13   C         8.4862   17.6150   -3.4147  C     
14   O        12.2256   17.1040   -5.1620  O     
15   N        15.0173   15.9237   -5.6968  N     
16   C        17.0971   14.9129   -6.3649  C     
17   C        18.4683   15.0139   -6.7172  C     
18   C        16.3652   13.7899   -6.8111  C     
19   C        16.9811   12.7893   -7.5873  C     
20   C        18.3403   12.9069   -7.9343  C     
21   C        19.0793   14.0176   -7.4985  C     
22   C         7.2867   19.8132   -4.0377  C     
23   C         5.7813   20.1630   -4.1565  C     
24   C         5.7849   17.1100   -9.5581  C     
25   C         6.7254   17.1832   -8.3404  C     
26   C         6.1058   19.4222   -8.8988  C     
27   C         5.8438   18.5274  -10.1361  C     
28   N         6.8452   18.5708   -7.9912  N     
29   C         4.8555   19.9642   -8.3020  C     
30   O         4.2622   19.3871   -7.2324  O     
31   O         4.1229   20.8495   -9.0078  O     
32   H        16.8260   16.9472   -5.7903  H     
33   H        16.6616   15.7719   -4.4856  H     
34   H        12.3973   15.6985   -6.7230  H     
35   H        12.4483   18.8524   -6.2682  H     
36   H        10.0666   18.8867   -5.1531  H     
37   H         8.1451   17.1529   -6.1960  H     
38   H         6.7009   17.7761   -4.5523  H     
39   H         8.7116   16.5833   -3.7094  H     
40   H         7.9351   17.5865   -2.4701  H     
41   H         9.4305   18.1471   -3.2428  H     
42   H        14.5532   15.2201   -5.2140  H     
43   H        19.0284   15.8079   -6.4051  H     
44   H        15.3757   13.6903   -6.5629  H     
45   H        16.4436   11.9773   -7.8934  H     
46   H        18.7947   12.1870   -8.4955  H     
47   H        20.0698   14.1020   -7.7455  H     
48   H         7.5855   19.9756   -2.9965  H     
49   H         7.8442   20.5573   -4.6092  H     
50   H         5.3953   19.9132   -5.1523  H     
51   H         5.6319   21.2372   -3.9844  H     
52   H         5.2138   19.5952   -3.4071  H     
53   H         6.1123   16.3564  -10.2814  H     
54   H         4.7651   16.8822   -9.2319  H     
55   H         6.3134   16.5986   -7.5120  H     
56   H         7.7074   16.7889   -8.6225  H     
57   H         6.7209   20.2702   -9.2136  H     
58   H         6.6941   18.5948  -10.8270  H     
59   H         4.9268   18.7807  -10.6754  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   16 1
     3    2    3 2
     4    4    2 1
     5    2   15 am
     6    4    5 1
     7    4   14 1
     8    5    6 1
     9    5   14 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14    9   12 1
    15   10   11 2
    16   10   28 am
    17   12   13 1
    18   12   22 1
    19   16   17 2
    20   16   18 1
    21   17   21 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26   24   25 1
    27   24   27 1
    28   25   28 1
    29   26   27 1
    30   26   28 1
    31   26   29 1
    32   29   30 2
    33   29   31 1
    34    1   32 1
    35    1   33 1
    36    4   34 1
    37    5   35 1
    38    8   36 1
    39    9   37 1
    40   12   38 1
    41   13   39 1
    42   13   40 1
    43   13   41 1
    44   15   42 1
    45   17   43 1
    46   18   44 1
    47   19   45 1
    48   20   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   23   50 1
    53   23   51 1
    54   23   52 1
    55   24   53 1
    56   24   54 1
    57   25   55 1
    58   25   56 1
    59   26   57 1
    60   27   58 1
    61   27   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.8582
  Crash		| -2.0050
  Polar		| 4.0848
  FragIndex	| 1
  FragRMSD	| 0.548