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


@<TRIPOS>ATOM
1    C        14.5953   20.2951   -4.7548  C     
2    C        15.9674   20.5756   -5.4036  C     
3    O        13.8265   19.2025   -5.2843  O     
4    C        13.9448   18.4154   -6.3851  C     
5    O        14.9521   18.5624   -7.2737  O     
6    C        12.9624   17.3556   -6.6379  C     
7    C        11.5347   17.7855   -6.9260  C     
8    C        10.6598   16.9620   -7.7184  C     
9    O        11.1572   16.0980   -8.4300  O     
10   N         9.3499   17.1802   -7.6741  N     
11   C         8.3187   16.4328   -8.3491  C     
12   C         7.5657   17.2797   -9.2811  C     
13   O         7.5263   16.9274  -10.4558  O     
14   C         7.4006   15.6773   -7.3159  C     
15   C         7.9448   14.2362   -7.0520  C     
16   C         7.1768   16.4403   -5.9631  C     
17   C         5.9294   15.9973   -5.1620  C     
18   O        11.9095   17.1766   -5.6806  O     
19   N         6.9211   18.3725   -8.8836  N     
20   C         6.0668   19.2871   -9.6038  C     
21   C         5.7181   18.9893  -11.0911  C     
22   C         4.8160   19.5111   -8.8399  C     
23   O         3.9381   20.4572   -9.2452  O     
24   O         4.4772   18.7528   -7.7680  O     
25   H        14.7490   20.0958   -3.6932  H     
26   H        13.9846   21.1958   -4.8394  H     
27   H        16.6188   19.7080   -5.3002  H     
28   H        16.4435   21.4261   -4.9166  H     
29   H        15.8454   20.8043   -6.4634  H     
30   H        13.3085   16.4076   -7.0528  H     
31   H        11.2981   18.8456   -6.8218  H     
32   H         9.0471   17.9081   -7.1041  H     
33   H         8.7909   15.6539   -8.9619  H     
34   H         6.4199   15.5458   -7.7904  H     
35   H         8.0255   13.6824   -7.9943  H     
36   H         7.2730   13.6768   -6.3981  H     
37   H         8.9365   14.2751   -6.5876  H     
38   H         8.0606   16.3294   -5.3246  H     
39   H         7.0567   17.5085   -6.1527  H     
40   H         5.0216   16.1754   -5.7469  H     
41   H         5.8640   16.5782   -4.2366  H     
42   H         5.9825   14.9388   -4.8996  H     
43   H         7.0314   18.5949   -7.9464  H     
44   H         6.6083   20.2370   -9.5964  H     
45   H         6.6298   18.8225  -11.6666  H     
46   H         5.1911   19.8337  -11.5392  H     
47   H         5.0830   18.1046  -11.1733  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	| 3.0364
  Crash		| -1.0235
  Polar		| 2.4971
  FragIndex	| 1
  FragRMSD	| 1.050