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


@<TRIPOS>ATOM
1    C        14.8242   20.5533   -4.6177  C     
2    C        16.2313   20.7303   -5.2320  C     
3    O        14.0484   19.4295   -5.0710  O     
4    C        14.1389   18.6448   -6.1818  C     
5    O        15.1231   18.7978   -7.0991  O     
6    C        13.1388   17.5954   -6.4271  C     
7    C        11.7025   18.0867   -6.5837  C     
8    C        10.8022   17.3943   -7.4693  C     
9    O        11.2925   16.7538   -8.3922  O     
10   N         9.4978   17.4590   -7.2468  N     
11   C         8.4755   16.7512   -7.9685  C     
12   C         7.5088   17.7542   -8.4230  C     
13   O         7.1318   18.6024   -7.6272  O     
14   C         7.8156   15.5867   -7.1192  C     
15   C         8.8711   14.4929   -6.7692  C     
16   C         7.0729   16.0721   -5.8317  C     
17   C         6.6264   14.9600   -4.8518  C     
18   O        12.1308   17.3083   -5.4469  O     
19   N         7.0721   17.7576   -9.6812  N     
20   C         6.1067   18.6360  -10.3138  C     
21   C         5.8831   19.9285   -9.5946  C     
22   O         6.9527   20.6522   -9.1832  O     
23   O         4.6706   20.5084   -9.4687  O     
24   C         4.8445   17.8250  -10.8028  C     
25   C         4.3478   16.7445   -9.7863  C     
26   C         3.6855   18.7167  -11.3916  C     
27   C         2.4166   18.9251  -10.5089  C     
28   H        14.9075   20.4857   -3.5331  H     
29   H        14.2452   21.4488   -4.8482  H     
30   H        16.8606   19.8719   -5.0102  H     
31   H        16.7078   21.6292   -4.8194  H     
32   H        16.1546   20.8388   -6.3146  H     
33   H        13.4193   16.7366   -7.0361  H     
34   H        11.4556   19.1104   -6.2880  H     
35   H         9.2060   18.0177   -6.5068  H     
36   H         8.9310   16.2839   -8.8520  H     
37   H         7.0467   15.0982   -7.7267  H     
38   H         9.4238   14.1939   -7.6537  H     
39   H         8.3960   13.6025   -6.3666  H     
40   H         9.5846   14.8683   -6.0372  H     
41   H         7.7064   16.7838   -5.2882  H     
42   H         6.1554   16.5998   -6.1253  H     
43   H         6.0940   14.1678   -5.3914  H     
44   H         5.9497   15.3835   -4.1004  H     
45   H         7.4866   14.5296   -4.3306  H     
46   H         7.4061   17.0410  -10.2459  H     
47   H         6.6164   18.9426  -11.2301  H     
48   H         5.2172   17.2309  -11.6589  H     
49   H         5.1203   15.9832   -9.6411  H     
50   H         3.4589   16.2394  -10.1724  H     
51   H         4.1167   17.1999   -8.8136  H     
52   H         4.0838   19.7011  -11.6561  H     
53   H         3.3429   18.2704  -12.3298  H     
54   H         1.7967   18.0237  -10.5315  H     
55   H         1.8333   19.7588  -10.9053  H     
56   H         2.6650   19.1463   -9.4654  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	| 4.1903
  Crash		| -1.5783
  Polar		| 2.7486
  FragIndex	| 1
  FragRMSD	| 1.238