@<TRIPOS>MOLECULE
BindingDB_16504
 69 71 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.2003   19.1566   -4.4063  C     
2    C        13.9444   18.0296   -6.1973  C     
3    O        14.8469   18.1398   -7.0153  O     
4    C        12.7307   17.3641   -6.6258  C     
5    C        11.4022   18.1087   -6.5486  C     
6    C        10.4041   17.7831   -7.5358  C     
7    O        10.5677   18.2144   -8.6676  O     
8    N         9.3423   17.0660   -7.1991  N     
9    C         8.2548   16.6756   -8.0584  C     
10   C         7.4869   17.8150   -8.5956  C     
11   O         7.5166   18.8519   -7.9365  O     
12   C         7.3187   15.6248   -7.3462  C     
13   C         8.1022   14.3539   -6.9100  C     
14   O        11.7532   17.0860   -5.6099  O     
15   N        14.0744   18.4627   -4.9473  N     
16   C         6.3859   16.1830   -6.2113  C     
17   C         6.7954   15.9467   -4.7297  C     
18   C         5.5453   17.0380  -11.6340  C     
19   C         6.6340   16.6658  -10.6172  C     
20   C         5.9819   18.9213  -10.1966  C     
21   C         5.5966   18.5657  -11.6462  C     
22   N         6.7544   17.7905   -9.7273  N     
23   C         4.7695   19.1941   -9.3894  C     
24   O         4.1713   20.4082   -9.4908  O     
25   O         4.2653   18.2184   -8.5708  O     
26   C        15.2078   20.6565   -4.8017  C     
27   C        16.4707   21.3984   -4.3059  C     
28   C         3.1191   18.3209   -7.7225  C     
29   C         3.5861   18.6358   -6.3544  C     
30   C         4.5780   19.2091   -3.7703  C     
31   C         5.0223   19.9611   -4.8681  C     
32   C         4.5303   19.6780   -6.1602  C     
33   C         3.1348   17.8952   -5.2385  C     
34   C         3.6323   18.1765   -3.9545  C     
35   H        15.1333   19.0827   -3.3186  H     
36   H        16.1263   18.6648   -4.7156  H     
37   H        12.8169   16.5323   -7.3269  H     
38   H        11.4546   19.1264   -6.1650  H     
39   H         9.3183   16.7533   -6.2842  H     
40   H         8.7337   16.1655   -8.9016  H     
41   H         6.6262   15.2622   -8.1088  H     
42   H         8.6119   13.9030   -7.7682  H     
43   H         7.4137   13.6069   -6.4967  H     
44   H         8.8527   14.5985   -6.1535  H     
45   H        13.3332   18.2993   -4.3422  H     
46   H         6.2405   17.2551   -6.3501  H     
47   H         5.3972   15.7198   -6.3384  H     
48   H         6.7429   14.8795   -4.4934  H     
49   H         6.0884   16.4670   -4.0818  H     
50   H         7.8052   16.3185   -4.5208  H     
51   H         5.7468   16.6000  -12.6098  H     
52   H         4.5656   16.7019  -11.2751  H     
53   H         6.3316   15.7482  -10.1068  H     
54   H         7.5848   16.4945  -11.1304  H     
55   H         6.6016   19.8251  -10.2022  H     
56   H         6.3852   18.9048  -12.3196  H     
57   H         4.6466   19.0054  -11.9685  H     
58   H        15.1593   20.7580   -5.8904  H     
59   H        14.3239   21.1484   -4.3781  H     
60   H        16.5543   21.3375   -3.2120  H     
61   H        16.4164   22.4523   -4.5952  H     
62   H        17.3712   20.9573   -4.7576  H     
63   H         2.4287   19.0954   -8.0652  H     
64   H         2.5927   17.3633   -7.7678  H     
65   H         4.9526   19.4115   -2.8403  H     
66   H         5.7111   20.7081   -4.7388  H     
67   H         4.8853   20.2171   -6.9523  H     
68   H         2.4649   17.1259   -5.3500  H     
69   H         3.3065   17.6350   -3.1498  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   26 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   22 am
    17   12   13 1
    18   12   16 1
    19   16   17 1
    20   18   19 1
    21   18   21 1
    22   19   22 1
    23   20   21 1
    24   20   22 1
    25   20   23 1
    26   23   24 2
    27   23   25 1
    28   25   28 1
    29   26   27 1
    30   28   29 1
    31   29   32 2
    32   29   33 1
    33   30   31 2
    34   30   34 1
    35   31   32 1
    36   33   34 2
    37    1   35 1
    38    1   36 1
    39    4   37 1
    40    5   38 1
    41    8   39 1
    42    9   40 1
    43   12   41 1
    44   13   42 1
    45   13   43 1
    46   13   44 1
    47   15   45 1
    48   16   46 1
    49   16   47 1
    50   17   48 1
    51   17   49 1
    52   17   50 1
    53   18   51 1
    54   18   52 1
    55   19   53 1
    56   19   54 1
    57   20   55 1
    58   21   56 1
    59   21   57 1
    60   26   58 1
    61   26   59 1
    62   27   60 1
    63   27   61 1
    64   27   62 1
    65   28   63 1
    66   28   64 1
    67   30   65 1
    68   31   66 1
    69   32   67 1
    70   33   68 1
    71   34   69 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4625
  Crash		| -2.1540
  Polar		| 2.2103
  FragIndex	| 1
  FragRMSD	| 0.558