@<TRIPOS>MOLECULE
BindingDB_16500
 56 56 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.0023   19.5838   -5.4490  C     
2    C        14.8341   20.5123   -4.2313  C     
3    O        13.7240   19.0865   -5.8799  O     
4    C        13.4784   18.4391   -7.0541  C     
5    O        14.4934   18.2420   -7.9307  O     
6    C        12.1187   18.0302   -7.4358  C     
7    C        10.8983   18.6966   -6.8020  C     
8    C         9.5990   18.6179   -7.4177  C     
9    O         9.5170   18.9392   -8.5973  O     
10   N         8.5446   18.3049   -6.6793  N     
11   C         7.1930   18.0646   -7.1223  C     
12   C         6.6528   19.0719   -8.0362  C     
13   O         7.0906   20.2185   -8.0423  O     
14   C         6.2382   17.8428   -5.9006  C     
15   C         6.7028   16.6094   -5.0656  C     
16   C         6.0120   19.1109   -4.9905  C     
17   C         4.6192   19.7571   -5.1630  C     
18   O        11.3800   17.4052   -6.3801  O     
19   N         5.7313   18.6906   -8.9115  N     
20   C         5.2016   19.4300  -10.0095  C     
21   C         4.0532   20.2310   -9.5181  C     
22   O         3.9316   21.5625   -9.7638  O     
23   O         3.0476   19.6092   -8.8543  O     
24   C         4.8999   18.5143  -11.2643  C     
25   C         5.8690   17.3031  -11.3766  C     
26   C         3.4039   18.0650  -11.5088  C     
27   C         2.6963   17.1530  -10.4447  C     
28   H        15.4651   20.1462   -6.2651  H     
29   H        15.6545   18.7451   -5.1841  H     
30   H        14.1983   21.3547   -4.4987  H     
31   H        15.8104   20.8940   -3.9213  H     
32   H        14.3827   19.9707   -3.4005  H     
33   H        11.9754   17.5057   -8.3801  H     
34   H        11.0503   19.4428   -6.0242  H     
35   H         8.7195   18.1780   -5.7275  H     
36   H         7.2496   17.1138   -7.6667  H     
37   H         5.2706   17.5264   -6.2986  H     
38   H         6.7901   15.7223   -5.7064  H     
39   H         5.9769   16.3889   -4.2717  H     
40   H         7.6822   16.7864   -4.5938  H     
41   H         6.1317   18.8735   -3.9215  H     
42   H         6.7597   19.8911   -5.1921  H     
43   H         4.4802   20.1021   -6.1894  H     
44   H         4.5076   20.6077   -4.4940  H     
45   H         3.8399   19.0270   -4.9299  H     
46   H         5.4567   17.7647   -8.8404  H     
47   H         5.9817   20.1365  -10.3211  H     
48   H         5.1475   19.1429  -12.1359  H     
49   H         6.9163   17.6270  -11.3177  H     
50   H         5.7242   16.7678  -12.3188  H     
51   H         5.7082   16.5839  -10.5737  H     
52   H         2.7980   18.9503  -11.6941  H     
53   H         3.3898   17.5289  -12.4649  H     
54   H         3.3090   16.2889  -10.2066  H     
55   H         1.7776   16.7752  -10.9037  H     
56   H         2.4352   17.6875   -9.4984  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 1
     3    3    4 1
     4    4    5 2
     5    6    4 1
     6    6    7 1
     7    6   18 1
     8    7    8 1
     9    7   18 1
    10    8    9 2
    11    8   10 am
    12   10   11 1
    13   11   12 1
    14   11   14 1
    15   12   13 2
    16   12   19 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   20   21 1
    22   20   24 1
    23   21   22 2
    24   21   23 1
    25   24   25 1
    26   24   26 1
    27   26   27 1
    28    1   28 1
    29    1   29 1
    30    2   30 1
    31    2   31 1
    32    2   32 1
    33    6   33 1
    34    7   34 1
    35   10   35 1
    36   11   36 1
    37   14   37 1
    38   15   38 1
    39   15   39 1
    40   15   40 1
    41   16   41 1
    42   16   42 1
    43   17   43 1
    44   17   44 1
    45   17   45 1
    46   19   46 1
    47   20   47 1
    48   24   48 1
    49   25   49 1
    50   25   50 1
    51   25   51 1
    52   26   52 1
    53   26   53 1
    54   27   54 1
    55   27   55 1
    56   27   56 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5628
  Crash		| -3.0909
  Polar		| 2.9613
  FragIndex	| 1
  FragRMSD	| 0.531