@<TRIPOS>MOLECULE
BindingDB_16502
 59 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.8709   17.7445   -4.0151  C     
2    C        13.7013   17.7690   -6.1872  C     
3    O        14.7204   17.8312   -6.8679  O     
4    C        12.4088   17.8422   -6.8207  C     
5    C        12.0257   16.7129   -7.7682  C     
6    C        10.6671   16.3212   -8.0796  C     
7    O        10.4905   15.1651   -8.4670  O     
8    N         9.6198   17.1258   -7.9032  N     
9    C         8.2365   16.8110   -8.1377  C     
10   C         7.4787   18.0170   -8.5398  C     
11   O         7.6144   19.0014   -7.8225  O     
12   C         7.5976   16.1155   -6.8757  C     
13   C         8.1040   14.6534   -6.7017  C     
14   O        12.3552   18.0325   -8.2403  O     
15   N        13.7294   17.7048   -4.8662  N     
16   C        15.6190   19.0268   -4.0892  C     
17   C        17.0310   19.0406   -4.0496  C     
18   C        14.9273   20.2581   -4.1760  C     
19   C        15.6335   21.4737   -4.2236  C     
20   C        17.0365   21.4758   -4.1584  C     
21   C        17.7352   20.2559   -4.0743  C     
22   C         7.7515   16.9135   -5.5361  C     
23   C         6.5564   16.7947   -4.5699  C     
24   C         5.2925   17.5814  -11.4875  C     
25   C         6.4026   17.0650  -10.5540  C     
26   C         5.8437   19.2880   -9.8653  C     
27   C         5.3663   19.1037  -11.3212  C     
28   N         6.6286   18.1059   -9.5813  N     
29   C         4.7053   19.4677   -8.9284  C     
30   O         4.6349   18.7705   -7.7627  O     
31   O         3.7892   20.4335   -9.1604  O     
32   H        14.5109   17.6260   -2.9900  H     
33   H        15.5074   16.8841   -4.2313  H     
34   H        11.5935   18.3364   -6.2916  H     
35   H        12.8238   16.0120   -8.0400  H     
36   H         9.8077   18.0125   -7.5492  H     
37   H         8.1917   16.0863   -8.9559  H     
38   H         6.5206   16.0271   -7.0837  H     
39   H         7.9235   14.0725   -7.6030  H     
40   H         7.5691   14.1565   -5.8823  H     
41   H         9.1762   14.6499   -6.5050  H     
42   H        12.8611   17.6714   -4.4284  H     
43   H        17.5588   18.1645   -3.9813  H     
44   H        13.9066   20.2809   -4.2165  H     
45   H        15.1224   22.3564   -4.3031  H     
46   H        17.5448   22.3579   -4.1635  H     
47   H        18.7567   20.2554   -4.0247  H     
48   H         8.6581   16.5825   -5.0136  H     
49   H         7.8985   17.9830   -5.7345  H     
50   H         5.6669   17.2252   -5.0312  H     
51   H         6.7681   17.3391   -3.6483  H     
52   H         6.3631   15.7512   -4.3196  H     
53   H         5.4565   17.2791  -12.5243  H     
54   H         4.3158   17.2178  -11.1536  H     
55   H         6.0791   16.1319  -10.0785  H     
56   H         7.3158   16.8852  -11.1330  H     
57   H         6.4729   20.1817   -9.8199  H     
58   H         6.1206   19.5052  -12.0050  H     
59   H         4.4078   19.5886  -11.5310  H     
@<TRIPOS>BOND
     1    1   15 1
     2    1   16 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   28 am
    17   12   13 1
    18   12   22 1
    19   16   17 2
    20   16   18 1
    21   17   21 1
    22   18   19 2
    23   19   20 1
    24   20   21 2
    25   22   23 1
    26   24   25 1
    27   24   27 1
    28   25   28 1
    29   26   27 1
    30   26   28 1
    31   26   29 1
    32   29   30 2
    33   29   31 1
    34    1   32 1
    35    1   33 1
    36    4   34 1
    37    5   35 1
    38    8   36 1
    39    9   37 1
    40   12   38 1
    41   13   39 1
    42   13   40 1
    43   13   41 1
    44   15   42 1
    45   17   43 1
    46   18   44 1
    47   19   45 1
    48   20   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   23   50 1
    53   23   51 1
    54   23   52 1
    55   24   53 1
    56   24   54 1
    57   25   55 1
    58   25   56 1
    59   26   57 1
    60   27   58 1
    61   27   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0687
  Crash		| -1.7192
  Polar		| 2.6386
  FragIndex	| 1
  FragRMSD	| 1.410