@<TRIPOS>MOLECULE
BindingDB_16501
 51 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8190   20.3534   -5.4196  C     
2    C        15.6035   21.3067   -4.2284  C     
3    O        14.6894   19.4868   -5.5859  O     
4    C        14.4246   18.7294   -6.6860  C     
5    O        15.2394   18.7818   -7.7667  O     
6    C        13.2314   17.8736   -6.7758  C     
7    C        11.9546   18.4785   -6.2341  C     
8    C        10.6262   18.1313   -6.6749  C     
9    O        10.4570   17.4256   -7.6735  O     
10   N         9.6156   18.5906   -5.9586  N     
11   C         8.2045   18.4058   -6.1822  C     
12   C         7.7197   19.0240   -7.4203  C     
13   O         8.4844   19.6546   -8.1483  O     
14   C         7.4131   18.9505   -4.9450  C     
15   C         7.8189   18.3117   -3.5921  C     
16   O        12.6308   17.3888   -5.5635  O     
17   N         6.4376   18.8908   -7.7284  N     
18   C         5.7521   19.4340   -8.8582  C     
19   C         4.3406   19.6505   -8.4437  C     
20   O         3.5732   18.6442   -7.9499  O     
21   O         3.8328   20.9092   -8.3436  O     
22   C         5.9626   18.5492  -10.1294  C     
23   C         5.5795   17.0527   -9.9480  C     
24   O         7.5580   20.3755   -4.8465  O     
25   C         5.3786   19.1417  -11.4503  C     
26   C         3.9412   18.7258  -11.8329  C     
27   H        15.9739   20.9412   -6.3290  H     
28   H        16.7114   19.7504   -5.2391  H     
29   H        14.8227   22.0348   -4.4591  H     
30   H        16.5297   21.8442   -4.0084  H     
31   H        15.3096   20.7390   -3.3432  H     
32   H        13.1077   17.2159   -7.6431  H     
33   H        12.0558   19.3974   -5.6446  H     
34   H         9.8685   19.0647   -5.1510  H     
35   H         8.0183   17.3288   -6.2387  H     
36   H         6.3453   18.7357   -5.0922  H     
37   H         7.8597   17.2266   -3.6803  H     
38   H         7.0911   18.5718   -2.8207  H     
39   H         8.8011   18.6781   -3.2766  H     
40   H         5.9044   18.3687   -7.1158  H     
41   H         6.1554   20.4274   -9.0890  H     
42   H         7.0511   18.5365  -10.2922  H     
43   H         6.1594   16.6071   -9.1323  H     
44   H         5.7897   16.4840  -10.8558  H     
45   H         4.5170   16.9403   -9.7162  H     
46   H         6.7708   20.6741   -4.3176  H     
47   H         5.4250   20.2321  -11.4082  H     
48   H         6.0299   18.8351  -12.2790  H     
49   H         3.8846   17.6449  -12.0162  H     
50   H         3.6536   19.2327  -12.7605  H     
51   H         3.2248   18.9973  -11.0571  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   16 1
     8    7    8 1
     9    7   16 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   17 am
    17   14   15 1
    18   14   24 1
    19   17   18 1
    20   18   19 1
    21   18   22 1
    22   19   20 2
    23   19   21 1
    24   22   23 1
    25   22   25 1
    26   25   26 1
    27    1   27 1
    28    1   28 1
    29    2   29 1
    30    2   30 1
    31    2   31 1
    32    6   32 1
    33    7   33 1
    34   10   34 1
    35   11   35 1
    36   14   36 1
    37   15   37 1
    38   15   38 1
    39   15   39 1
    40   17   40 1
    41   18   41 1
    42   22   42 1
    43   23   43 1
    44   23   44 1
    45   23   45 1
    46   24   46 1
    47   25   47 1
    48   25   48 1
    49   26   49 1
    50   26   50 1
    51   26   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7377
  Crash		| -1.7695
  Polar		| 4.4270
  FragIndex	| 1
  FragRMSD	| 0.843