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


@<TRIPOS>ATOM
1    C        14.2884   18.8458   -6.8270  C     
2    O        15.2897   19.0015   -7.7080  O     
3    C        13.0851   18.1273   -7.2481  C     
4    C        12.0219   17.7120   -6.2387  C     
5    C        10.6673   17.6244   -6.7204  C     
6    O        10.4119   16.9902   -7.7379  O     
7    N         9.7200   18.2950   -6.0715  N     
8    C         8.3321   18.3976   -6.4365  C     
9    O         9.0154   19.3227   -8.4728  O     
10   O        12.9923   16.7834   -6.7592  O     
11   C         7.5741   19.4690   -5.5899  C     
12   C         6.9454   18.9508   -4.2595  C     
13   C         7.9823   18.7361   -3.1266  C     
14   C         5.8025   19.8965   -3.7964  C     
15   C         8.1470   18.7077   -7.8537  C     
16   N         6.9633   18.4654   -8.4082  N     
17   C         6.6448   18.7804   -9.7761  C     
18   C         5.2568   18.2558  -10.2051  C     
19   C         4.0148   19.0711   -9.6949  C     
20   C         4.2894   20.5766   -9.3885  C     
21   C         2.8666   18.9604  -10.7605  C     
22   O        14.2719   19.6581   -5.7369  O     
23   H        12.7876   18.2005   -8.2936  H     
24   H        12.2050   17.9155   -5.1883  H     
25   H         9.9900   18.7370   -5.2517  H     
26   H         7.8573   17.4253   -6.2339  H     
27   H         8.2483   20.3075   -5.3670  H     
28   H         6.7415   19.8750   -6.1815  H     
29   H         6.4778   17.9741   -4.4612  H     
30   H         8.7182   17.9777   -3.4073  H     
31   H         7.4904   18.3878   -2.2100  H     
32   H         8.5065   19.6742   -2.9027  H     
33   H         6.1873   20.9071   -3.6228  H     
34   H         5.3496   19.5242   -2.8718  H     
35   H         5.0177   19.9510   -4.5522  H     
36   H         6.2649   18.0377   -7.8642  H     
37   H         6.6557   19.8655   -9.9384  H     
38   H         7.3841   18.3186  -10.4342  H     
39   H         5.2470   18.2381  -11.3134  H     
40   H         5.1296   17.2105   -9.8673  H     
41   H         3.6348   18.6054   -8.7693  H     
42   H         4.8998   20.6647   -8.4856  H     
43   H         3.3534   21.1235   -9.2057  H     
44   H         4.7971   21.0575  -10.2282  H     
45   H         3.1814   19.4558  -11.6903  H     
46   H         1.9444   19.4419  -10.4017  H     
47   H         2.6458   17.9038  -10.9767  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	| 8.1651
  Crash		| -1.5649
  Polar		| 3.4647
  FragIndex	| 1
  FragRMSD	| 0.797