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


@<TRIPOS>ATOM
1    C        15.8352   20.2419   -5.3916  C     
2    C        14.3665   18.7640   -6.6786  C     
3    O        15.1213   18.7341   -7.6538  O     
4    C        13.1816   17.9259   -6.7294  C     
5    C        11.8564   18.5549   -6.3121  C     
6    C        10.5628   18.1083   -6.7624  C     
7    O        10.4705   17.3977   -7.7656  O     
8    N         9.4982   18.5101   -6.0748  N     
9    C         8.1177   18.1771   -6.2975  C     
10   C         7.4951   18.8723   -7.4370  C     
11   O         7.6254   20.0940   -7.4430  O     
12   C         7.3284   18.4177   -4.9515  C     
13   C         7.8508   17.4846   -3.8174  C     
14   O        12.5243   17.5595   -5.5091  O     
15   N        14.6146   19.5334   -5.6222  N     
16   C         7.2864   19.9152   -4.4594  C     
17   C         5.8469   20.4190   -4.1393  C     
18   C         5.9241   16.6742   -9.9474  C     
19   C         6.6870   16.8867   -8.6315  C     
20   C         6.0485   19.0462   -9.4463  C     
21   C         6.0208   18.0447  -10.6236  C     
22   N         6.7652   18.3052   -8.4197  N     
23   C         4.7014   19.4719   -9.0157  C     
24   O         4.4102   19.8247   -7.7340  O     
25   O         3.7094   19.4688   -9.9588  O     
26   C        15.8162   21.1823   -4.1569  C     
27   C        15.7186   20.4479   -2.7839  C     
28   C         2.3220   19.7913   -9.7510  C     
29   C         1.3976   18.6211   -9.7486  C     
30   C        -0.4590   16.4644   -9.8470  C     
31   C        -0.8091   17.6701   -9.2114  C     
32   C         0.1080   18.7333   -9.1634  C     
33   C         1.7418   17.3946  -10.3832  C     
34   C         0.8144   16.3294  -10.4395  C     
35   H        16.6462   19.5203   -5.2562  H     
36   H        16.0848   20.8679   -6.2557  H     
37   H        13.1062   17.1668   -7.5154  H     
38   H        11.9030   19.5161   -5.7860  H     
39   H         9.7144   19.0430   -5.2877  H     
40   H         8.1058   17.1097   -6.4624  H     
41   H         6.3107   18.0810   -5.1341  H     
42   H         7.8006   16.4338   -4.1191  H     
43   H         7.2257   17.6131   -2.9249  H     
44   H         8.8871   17.7307   -3.5567  H     
45   H        13.9557   19.5370   -4.8956  H     
46   H         7.8916   20.0567   -3.5555  H     
47   H         7.7192   20.5877   -5.2046  H     
48   H         5.2041   20.2624   -5.0119  H     
49   H         5.8772   21.4897   -3.9127  H     
50   H         5.4487   19.8744   -3.2822  H     
51   H         6.3750   15.8896  -10.5602  H     
52   H         4.8857   16.4141   -9.7574  H     
53   H         6.1585   16.3940   -7.8061  H     
54   H         7.6885   16.4536   -8.7212  H     
55   H         6.5845   19.9268   -9.7638  H     
56   H         6.9604   18.1020  -11.1839  H     
57   H         5.1881   18.2061  -11.3202  H     
58   H        16.7416   21.7854   -4.1455  H     
59   H        14.9661   21.8748   -4.2192  H     
60   H        14.7192   20.0064   -2.6825  H     
61   H        15.8625   21.1556   -1.9600  H     
62   H        16.4740   19.6575   -2.7062  H     
63   H         2.2034   20.3689   -8.8157  H     
64   H         2.0007   20.4356  -10.5689  H     
65   H        -1.1358   15.6903   -9.8948  H     
66   H        -1.7291   17.7750   -8.7878  H     
67   H        -0.1600   19.6039   -8.7118  H     
68   H         2.6607   17.2812  -10.8392  H     
69   H         1.0581   15.4512  -10.9197  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	| 8.2356
  Crash		| -2.9432
  Polar		| 2.7420
  FragIndex	| 1
  FragRMSD	| 0.933