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


@<TRIPOS>ATOM
1    C        15.8881   20.3306   -5.4375  C     
2    C        15.6763   21.2637   -4.2311  C     
3    O        14.7693   19.4504   -5.5808  O     
4    C        14.4773   18.6979   -6.6758  C     
5    O        15.2455   18.7641   -7.7870  O     
6    C        13.3127   17.7955   -6.6835  C     
7    C        12.0241   18.4715   -6.2485  C     
8    C        10.7288   18.0678   -6.7231  C     
9    O        10.6371   17.4920   -7.8058  O     
10   N         9.6771   18.4217   -6.0075  N     
11   C         8.3004   18.1528   -6.3167  C     
12   C         7.8100   18.8804   -7.4860  C     
13   O         8.5668   19.6313   -8.1044  O     
14   C         7.4102   18.3732   -5.0435  C     
15   C         7.7183   17.3466   -3.9060  C     
16   C         7.4303   19.8364   -4.5121  C     
17   C         6.0373   20.4411   -4.1885  C     
18   O        12.6640   17.4476   -5.4545  O     
19   N         6.5591   18.7125   -7.8880  N     
20   C         5.8442   19.4638   -8.8753  C     
21   C         5.8239   18.7280  -10.2382  C     
22   C         4.4665   19.6812   -8.3700  C     
23   O         3.7439   18.6730   -7.8247  O     
24   O         3.8952   20.9099   -8.3720  O     
25   H        16.0160   20.9298   -6.3447  H     
26   H        16.7979   19.7416   -5.2788  H     
27   H        14.8477   21.9440   -4.4211  H     
28   H        16.5780   21.8526   -4.0463  H     
29   H        15.4573   20.6781   -3.3373  H     
30   H        13.1969   17.0800   -7.5018  H     
31   H        12.0996   19.4541   -5.7723  H     
32   H         9.8721   18.8939   -5.1718  H     
33   H         8.2319   17.0849   -6.5455  H     
34   H         6.3779   18.1833   -5.3524  H     
35   H         7.8386   16.3510   -4.3285  H     
36   H         6.8965   17.3240   -3.1879  H     
37   H         8.6276   17.6086   -3.3727  H     
38   H         8.0714   19.9209   -3.6169  H     
39   H         7.8629   20.4827   -5.2886  H     
40   H         5.3111   20.2341   -4.9868  H     
41   H         6.1123   21.5322   -4.0896  H     
42   H         5.6550   20.0214   -3.2617  H     
43   H         6.0485   18.0231   -7.4384  H     
44   H         6.2928   20.4471   -9.0423  H     
45   H         6.8477   18.5816  -10.5891  H     
46   H         5.2828   19.3226  -10.9838  H     
47   H         5.3384   17.7486  -10.1496  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	| 7.6559
  Crash		| -1.5580
  Polar		| 4.5150
  FragIndex	| 1
  FragRMSD	| 0.682