@<TRIPOS>MOLECULE
BindingDB_16509
 55 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.9530   18.8645   -4.5225  C     
2    C        14.3974   18.0723   -6.2762  C     
3    O        15.1233   18.3609   -7.2195  O     
4    C        13.0995   17.5302   -6.5962  C     
5    C        11.8851   18.4000   -6.3071  C     
6    C        10.5563   18.1539   -6.7950  C     
7    O        10.4130   17.6385   -7.8933  O     
8    N         9.5380   18.4856   -6.0173  N     
9    C         8.1498   18.1702   -6.2325  C     
10   C         7.5238   18.8889   -7.3572  C     
11   O         7.5432   20.1171   -7.3194  O     
12   C         7.3171   18.3598   -4.9096  C     
13   C         7.8181   17.3911   -3.7966  C     
14   C         7.2773   19.8455   -4.4076  C     
15   C         5.8684   20.3965   -4.0874  C     
16   O        12.2499   17.2913   -5.4670  O     
17   C         6.4202   16.8244  -10.1439  C     
18   C         6.9463   16.9041   -8.7041  C     
19   C         5.8439   18.9751   -9.1580  C     
20   C         5.3755   17.9464  -10.2175  C     
21   N         6.8116   18.2914   -8.3326  N     
22   C         4.6937   19.4886   -8.3778  C     
23   O         4.0183   18.7041   -7.5106  O     
24   O         4.2709   20.7509   -8.5372  O     
25   N        14.7416   18.2875   -5.0089  N     
26   C        16.0673   20.4077   -4.6785  C     
27   C        14.7992   21.2048   -4.2534  C     
28   H        15.9997   18.6329   -3.4552  H     
29   H        16.8050   18.3783   -5.0087  H     
30   H        13.0023   16.7760   -7.3855  H     
31   H        12.0511   19.3352   -5.7716  H     
32   H         9.7751   18.8895   -5.1679  H     
33   H         8.1469   17.1049   -6.4653  H     
34   H         6.2867   18.0634   -5.1240  H     
35   H         7.7912   16.3566   -4.1500  H     
36   H         7.1760   17.4465   -2.9149  H     
37   H         8.8450   17.6222   -3.4975  H     
38   H         7.8955   19.9448   -3.5139  H     
39   H         7.6987   20.5072   -5.1663  H     
40   H         5.2166   20.3102   -4.9605  H     
41   H         5.9443   21.4539   -3.8148  H     
42   H         5.4199   19.8551   -3.2522  H     
43   H         7.2310   17.0219  -10.8580  H     
44   H         5.9879   15.8417  -10.3501  H     
45   H         6.3471   16.2768   -8.0311  H     
46   H         7.9864   16.5601   -8.6967  H     
47   H         6.3427   19.8054   -9.6723  H     
48   H         5.3366   18.3909  -11.2203  H     
49   H         4.3891   17.5214   -9.9918  H     
50   H        14.0989   18.0185   -4.3288  H     
51   H        16.9042   20.7619   -4.0624  H     
52   H        16.3051   20.6408   -5.7297  H     
53   H        13.9931   21.0352   -4.9724  H     
54   H        15.0259   22.2752   -4.2286  H     
55   H        14.4544   20.8962   -3.2550  H     
@<TRIPOS>BOND
     1    1   25 1
     2    1   26 1
     3    2    3 2
     4    4    2 1
     5    2   25 am
     6    4    5 1
     7    4   16 1
     8    5    6 1
     9    5   16 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   21 am
    17   12   13 1
    18   12   14 1
    19   14   15 1
    20   17   18 1
    21   17   20 1
    22   18   21 1
    23   19   20 1
    24   19   21 1
    25   19   22 1
    26   22   23 2
    27   22   24 1
    28   26   27 1
    29    1   28 1
    30    1   29 1
    31    4   30 1
    32    5   31 1
    33    8   32 1
    34    9   33 1
    35   12   34 1
    36   13   35 1
    37   13   36 1
    38   13   37 1
    39   14   38 1
    40   14   39 1
    41   15   40 1
    42   15   41 1
    43   15   42 1
    44   17   43 1
    45   17   44 1
    46   18   45 1
    47   18   46 1
    48   19   47 1
    49   20   48 1
    50   20   49 1
    51   25   50 1
    52   26   51 1
    53   26   52 1
    54   27   53 1
    55   27   54 1
    56   27   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2531
  Crash		| -1.4958
  Polar		| 3.3017
  FragIndex	| 1
  FragRMSD	| 1.009