@<TRIPOS>MOLECULE
BindingDB_16508
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.7466   20.1473   -5.3894  C     
2    C        15.4496   21.1391   -4.2459  C     
3    O        14.6268   19.2859   -5.6167  O     
4    C        14.3545   18.6024   -6.7552  C     
5    O        15.1596   18.6909   -7.8335  O     
6    C        13.1404   17.7854   -6.8651  C     
7    C        11.8573   18.4809   -6.4342  C     
8    C        10.5228   18.0531   -6.7593  C     
9    O        10.3438   17.3611   -7.7506  O     
10   N         9.5286   18.5338   -6.0296  N     
11   C         8.1340   18.2141   -6.1190  C     
12   C         7.4416   18.8963   -7.2261  C     
13   O         7.4749   20.1269   -7.1956  O     
14   C         7.4141   18.4346   -4.7489  C     
15   C         8.0556   17.5664   -3.6195  C     
16   C         7.2626   19.9275   -4.2294  C     
17   C         5.7767   20.3493   -4.0901  C     
18   O        12.4904   17.4549   -5.6391  O     
19   C         5.7153   16.6378   -9.5755  C     
20   C         6.6637   16.8792   -8.3848  C     
21   C         5.9130   19.0268   -9.1584  C     
22   C         5.6370   17.9996  -10.2775  C     
23   N         6.7002   18.3046   -8.1902  N     
24   C         4.6924   19.5816   -8.5535  C     
25   O         3.8185   18.8151   -7.8601  O     
26   O         4.4095   20.8953   -8.6779  O     
27   H        15.9750   20.7143   -6.2993  H     
28   H        16.6256   19.5504   -5.1282  H     
29   H        14.5306   21.6994   -4.4677  H     
30   H        16.2716   21.8372   -4.1284  H     
31   H        15.3069   20.5952   -3.3037  H     
32   H        13.0497   17.0386   -7.6489  H     
33   H        11.9394   19.4575   -5.9423  H     
34   H         9.8150   19.0802   -5.2726  H     
35   H         8.1122   17.1410   -6.2885  H     
36   H         6.4021   17.9897   -4.8629  H     
37   H         8.1462   16.5177   -3.9391  H     
38   H         7.4408   17.6015   -2.7159  H     
39   H         9.0485   17.9346   -3.3569  H     
40   H         7.7410   20.0670   -3.2454  H     
41   H         7.7653   20.6204   -4.9048  H     
42   H         5.2433   20.1430   -5.0459  H     
43   H         5.7121   21.4318   -3.8725  H     
44   H         5.3076   19.8033   -3.2724  H     
45   H         6.0906   15.8536  -10.2472  H     
46   H         4.7174   16.3443   -9.2215  H     
47   H         6.2757   16.3510   -7.5020  H     
48   H         7.6658   16.5005   -8.6305  H     
49   H         6.5243   19.8381   -9.5802  H     
50   H         6.4143   18.0499  -11.0484  H     
51   H         4.6648   18.1454  -10.7582  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   23 am
    17   14   15 1
    18   14   16 1
    19   16   17 1
    20   19   20 1
    21   19   22 1
    22   20   23 1
    23   21   22 1
    24   21   23 1
    25   21   24 1
    26   24   25 2
    27   24   26 1
    28    1   27 1
    29    1   28 1
    30    2   29 1
    31    2   30 1
    32    2   31 1
    33    6   32 1
    34    7   33 1
    35   10   34 1
    36   11   35 1
    37   14   36 1
    38   15   37 1
    39   15   38 1
    40   15   39 1
    41   16   40 1
    42   16   41 1
    43   17   42 1
    44   17   43 1
    45   17   44 1
    46   19   45 1
    47   19   46 1
    48   20   47 1
    49   20   48 1
    50   21   49 1
    51   22   50 1
    52   22   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2938
  Crash		| -1.6799
  Polar		| 3.0459
  FragIndex	| 1
  FragRMSD	| 0.838