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


@<TRIPOS>ATOM
1    C        15.0864   18.3272   -6.2077  C     
2    C        13.1439   18.2461   -7.7153  C     
3    O        13.6404   18.9750   -8.5617  O     
4    C        11.7813   17.8200   -7.9247  C     
5    C        10.7077   18.5972   -7.1724  C     
6    C         9.3638   18.6791   -7.6880  C     
7    O         9.2039   19.1341   -8.8138  O     
8    N         8.3567   18.2604   -6.9368  N     
9    C         7.0098   18.0384   -7.3853  C     
10   C         6.5451   19.0580   -8.3419  C     
11   O         6.5649   20.2170   -7.9337  O     
12   C         6.0230   17.8540   -6.1667  C     
13   C         6.3039   16.5051   -5.4409  C     
14   O        11.0723   17.2504   -6.8100  O     
15   N        13.7901   17.8807   -6.6192  N     
16   C         5.9928   19.0497   -5.1427  C     
17   C         4.6100   19.7328   -4.9958  C     
18   C         5.1631   17.6818  -11.4827  C     
19   C         6.0804   17.5433  -10.2560  C     
20   C         5.2493   19.7812  -10.2934  C     
21   C         5.1116   19.1933  -11.7185  C     
22   N         6.0289   18.8067   -9.5627  N     
23   C         3.9309   19.9481   -9.6286  C     
24   O         3.8526   20.6397   -8.4501  O     
25   O         2.8100   19.5181  -10.2979  O     
26   C        15.0687   18.8785   -4.7622  C     
27   C        14.3222   20.2236   -4.6054  C     
28   C         1.4427   19.6100   -9.9047  C     
29   C         0.9516   18.4362   -9.1362  C     
30   C        -0.0687   16.2702   -7.5960  C     
31   C        -0.9490   17.2035   -8.1677  C     
32   C        -0.4415   18.2778   -8.9256  C     
33   C         1.8238   17.4670   -8.5693  C     
34   C         1.3179   16.4033   -7.7903  C     
35   H        15.7540   17.4650   -6.2434  H     
36   H        15.5032   19.0907   -6.8715  H     
37   H        11.4930   17.4180   -8.8993  H     
38   H        10.9880   19.2768   -6.3654  H     
39   H         8.5737   17.9413   -6.0462  H     
40   H         7.0457   17.0768   -7.9009  H     
41   H         5.0179   17.7425   -6.5851  H     
42   H         6.3236   15.6740   -6.1551  H     
43   H         5.5164   16.2996   -4.7148  H     
44   H         7.2636   16.5360   -4.9190  H     
45   H        13.3258   17.2792   -6.0210  H     
46   H         6.2771   18.7074   -4.1413  H     
47   H         6.7247   19.8119   -5.4352  H     
48   H         4.2238   20.0617   -5.9676  H     
49   H         4.6935   20.6063   -4.3457  H     
50   H         3.9053   19.0381   -4.5407  H     
51   H         5.5520   17.1412  -12.3470  H     
52   H         4.1594   17.3107  -11.2509  H     
53   H         5.7228   16.7099   -9.6506  H     
54   H         7.1171   17.3489  -10.5716  H     
55   H         5.7711   20.7394  -10.3583  H     
56   H         5.9606   19.5010  -12.3317  H     
57   H         4.1847   19.4965  -12.2280  H     
58   H        14.6082   18.1457   -4.0964  H     
59   H        16.0992   19.0249   -4.4305  H     
60   H        14.7946   21.0024   -5.2098  H     
61   H        14.3296   20.5434   -3.5586  H     
62   H        13.2812   20.1263   -4.9223  H     
63   H         1.3416   20.4800   -9.2644  H     
64   H         0.8134   19.7368  -10.7917  H     
65   H        -0.4311   15.4956   -7.0311  H     
66   H        -1.9572   17.1015   -8.0297  H     
67   H        -1.1033   18.9516   -9.3188  H     
68   H         2.8297   17.5302   -8.7087  H     
69   H         1.9623   15.7317   -7.3670  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	| 7.8980
  Crash		| -3.2139
  Polar		| 3.1738
  FragIndex	| 1
  FragRMSD	| 0.651