@<TRIPOS>MOLECULE
BindingDB_16510
 47 47 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.4517   18.0355   -6.6039  C     
2    O        14.6962   17.7569   -7.0624  O     
3    C        12.2966   17.9229   -7.5133  C     
4    C        10.9552   18.5583   -7.1725  C     
5    C         9.9610   18.7679   -8.1902  C     
6    O        10.2669   19.4140   -9.1832  O     
7    N         8.7375   18.3114   -7.9773  N     
8    C         7.6087   18.3849   -8.8562  C     
9    O         6.7802   20.5078   -8.4569  O     
10   O        11.2289   17.1714   -6.9287  O     
11   C         7.0806   16.9299   -9.1101  C     
12   C         5.6413   16.8240   -9.7385  C     
13   C         5.6786   16.2930  -11.1985  C     
14   C         4.6754   15.9772   -8.8659  C     
15   C         6.6263   19.3030   -8.2914  C     
16   N         5.6149   18.8358   -7.5691  N     
17   C         4.5092   19.5489   -7.0211  C     
18   C         4.4175   19.4638   -5.4598  C     
19   C         5.4944   18.6051   -4.7190  C     
20   C         5.8946   19.2616   -3.3776  C     
21   C         5.0210   17.1382   -4.4954  C     
22   O        13.3314   18.5434   -5.3534  O     
23   H        12.4785   17.6075   -8.5437  H     
24   H        10.8727   19.1246   -6.2416  H     
25   H         8.5739   17.8759   -7.1265  H     
26   H         7.8975   18.7693   -9.8399  H     
27   H         7.8130   16.4238   -9.7593  H     
28   H         7.1266   16.3783   -8.1645  H     
29   H         5.2134   17.8203   -9.7943  H     
30   H         6.3309   16.9253  -11.8059  H     
31   H         4.6799   16.3175  -11.6381  H     
32   H         6.0523   15.2659  -11.2358  H     
33   H         5.0196   14.9437   -8.7827  H     
34   H         3.6689   15.9705   -9.3081  H     
35   H         4.5898   16.3971   -7.8559  H     
36   H         5.5970   17.8855   -7.4292  H     
37   H         4.5156   20.6078   -7.3255  H     
38   H         3.5981   19.1103   -7.4550  H     
39   H         4.4758   20.4908   -5.0731  H     
40   H         3.4079   19.0961   -5.1890  H     
41   H         6.3957   18.5801   -5.3371  H     
42   H         6.3416   20.2381   -3.5608  H     
43   H         6.6298   18.6472   -2.8653  H     
44   H         5.0173   19.3887   -2.7397  H     
45   H         4.1186   17.1150   -3.8850  H     
46   H         5.7992   16.5668   -3.9928  H     
47   H         4.8045   16.6447   -5.4436  H     
@<TRIPOS>BOND
     1    1    2 2
     2    3    1 1
     3    1   22 1
     4    3    4 1
     5    3   10 1
     6    4    5 1
     7    4   10 1
     8    5    6 2
     9    5    7 am
    10    7    8 1
    11    8   11 1
    12    8   15 1
    13    9   15 2
    14   11   12 1
    15   12   13 1
    16   12   14 1
    17   15   16 am
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   19   21 1
    23    3   23 1
    24    4   24 1
    25    7   25 1
    26    8   26 1
    27   11   27 1
    28   11   28 1
    29   12   29 1
    30   13   30 1
    31   13   31 1
    32   13   32 1
    33   14   33 1
    34   14   34 1
    35   14   35 1
    36   16   36 1
    37   17   37 1
    38   17   38 1
    39   18   39 1
    40   18   40 1
    41   19   41 1
    42   20   42 1
    43   20   43 1
    44   20   44 1
    45   21   45 1
    46   21   46 1
    47   21   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2164
  Crash		| -2.2335
  Polar		| 4.6266
  FragIndex	| 1
  FragRMSD	| 1.099