@<TRIPOS>MOLECULE
BindingDB_16499
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.7116   18.9778   -5.0896  C     
2    C        15.1168   20.4296   -5.4318  C     
3    O        13.5033   18.6002   -5.7663  O     
4    C        13.3590   18.2820   -7.0814  C     
5    O        14.4293   18.2719   -7.9046  O     
6    C        12.0301   17.9901   -7.6294  C     
7    C        10.8000   18.6439   -7.0198  C     
8    C         9.5411   18.6966   -7.7238  C     
9    O         9.4911   19.1471   -8.8630  O     
10   N         8.4598   18.3231   -7.0563  N     
11   C         7.1081   18.1431   -7.5439  C     
12   C         6.6192   19.1599   -8.4697  C     
13   O         6.8556   20.3400   -8.2434  O     
14   C         6.1044   17.9294   -6.3365  C     
15   C         6.5904   16.8046   -5.3605  C     
16   C         5.7769   19.2695   -5.5885  C     
17   C         5.0271   19.1290   -4.2365  C     
18   O        11.1662   17.2895   -6.7191  O     
19   N         5.8414   18.7855   -9.4790  N     
20   C         5.0960   19.6528  -10.3355  C     
21   C         4.6409   18.8624  -11.5868  C     
22   C         3.9458   20.1866   -9.5740  C     
23   O         3.7345   21.5224   -9.4839  O     
24   O         3.0759   19.3570   -8.9466  O     
25   H        15.5182   18.2872   -5.3450  H     
26   H        14.5275   18.9168   -4.0148  H     
27   H        15.3109   20.5335   -6.5045  H     
28   H        16.0257   20.7049   -4.8920  H     
29   H        14.3145   21.1166   -5.1587  H     
30   H        11.9443   17.6236   -8.6585  H     
31   H        10.9271   19.2984   -6.1495  H     
32   H         8.6347   17.9926   -6.1574  H     
33   H         7.1416   17.1863   -8.0889  H     
34   H         5.1546   17.5661   -6.7623  H     
35   H         6.8979   15.9096   -5.9248  H     
36   H         5.7830   16.4989   -4.6904  H     
37   H         7.4327   17.1507   -4.7510  H     
38   H         6.7025   19.8355   -5.4187  H     
39   H         5.1379   19.8720   -6.2340  H     
40   H         4.1838   18.4313   -4.3358  H     
41   H         4.6470   20.1100   -3.9216  H     
42   H         5.7107   18.7716   -3.4639  H     
43   H         5.6960   17.8264   -9.5926  H     
44   H         5.7343   20.4811  -10.6850  H     
45   H         5.5210   18.4774  -12.1181  H     
46   H         4.0776   19.5103  -12.2656  H     
47   H         4.0044   18.0126  -11.3134  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   22 1
    23   22   23 2
    24   22   24 1
    25    1   25 1
    26    1   26 1
    27    2   27 1
    28    2   28 1
    29    2   29 1
    30    6   30 1
    31    7   31 1
    32   10   32 1
    33   11   33 1
    34   14   34 1
    35   15   35 1
    36   15   36 1
    37   15   37 1
    38   16   38 1
    39   16   39 1
    40   17   40 1
    41   17   41 1
    42   17   42 1
    43   19   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1983
  Crash		| -1.7089
  Polar		| 4.0453
  FragIndex	| 1
  FragRMSD	| 0.530