@<TRIPOS>MOLECULE
BindingDB_16506
 39 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.3297   19.0093   -4.5006  C     
2    C        13.4014   18.1328   -6.6714  C     
3    O        14.6141   17.7901   -7.1664  O     
4    C        12.2096   17.9140   -7.5138  C     
5    C        10.8831   18.6152   -7.2300  C     
6    C         9.9336   18.7592   -8.3104  C     
7    O        10.2764   19.4092   -9.2866  O     
8    N         8.7232   18.2266   -8.1948  N     
9    C         7.6699   18.2369   -9.1721  C     
10   C         6.6998   19.3190   -9.0370  C     
11   O         7.1143   20.3669   -8.5546  O     
12   O        11.1406   17.2698   -6.8062  O     
13   C         3.1100   19.7151   -9.4526  C     
14   C         4.4978   20.3148   -9.2039  C     
15   C         4.8204   18.2210  -10.2959  C     
16   C         3.3717   18.7007  -10.5699  C     
17   N         5.4333   19.2753   -9.5038  N     
18   C         5.5315   17.9100  -11.5609  C     
19   O         5.4374   16.6777  -12.1089  O     
20   O         6.5498   18.6981  -11.9827  O     
21   C        14.6967   20.5051   -4.5124  C     
22   O        13.2942   18.7354   -5.4579  O     
23   H        15.2238   18.4143   -4.6944  H     
24   H        13.9584   18.7395   -3.5136  H     
25   H        12.3440   17.4470   -8.4916  H     
26   H        10.8321   19.3040   -6.3844  H     
27   H         8.5436   17.7433   -7.3703  H     
28   H         8.0761   18.2734  -10.1856  H     
29   H         7.1636   17.2762   -9.0711  H     
30   H         2.7597   19.1997   -8.5538  H     
31   H         2.3806   20.4763   -9.7366  H     
32   H         4.6770   21.1643   -9.8676  H     
33   H         4.5605   20.6485   -8.1632  H     
34   H         4.7663   17.3093   -9.6890  H     
35   H         2.6485   17.8794  -10.5354  H     
36   H         3.2789   19.2064  -11.5393  H     
37   H        15.0317   20.8057   -5.5079  H     
38   H        15.4963   20.7007   -3.7937  H     
39   H        13.8274   21.1058   -4.2381  H     
@<TRIPOS>BOND
     1    1   21 1
     2    1   22 1
     3    2    3 2
     4    4    2 1
     5    2   22 1
     6    4    5 1
     7    4   12 1
     8    5    6 1
     9    5   12 1
    10    6    7 2
    11    6    8 am
    12    8    9 1
    13    9   10 1
    14   10   11 2
    15   10   17 am
    16   13   14 1
    17   13   16 1
    18   14   17 1
    19   15   16 1
    20   15   17 1
    21   15   18 1
    22   18   19 2
    23   18   20 1
    24    1   23 1
    25    1   24 1
    26    4   25 1
    27    5   26 1
    28    8   27 1
    29    9   28 1
    30    9   29 1
    31   13   30 1
    32   13   31 1
    33   14   32 1
    34   14   33 1
    35   15   34 1
    36   16   35 1
    37   16   36 1
    38   21   37 1
    39   21   38 1
    40   21   39 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5266
  Crash		| -1.8052
  Polar		| 6.3938
  FragIndex	| 1
  FragRMSD	| 0.336