@<TRIPOS>MOLECULE
BindingDB_16431
 23 24 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5214   23.8493   63.1481  C     
2    C        16.1927   23.1730   64.3554  C     
3    C        15.6397   21.8784   64.3306  C     
4    C        16.1776   23.2520   61.9218  C     
5    C        17.2706   25.1239   63.2260  C     
6    C        16.3654   26.2633   63.3456  C     
7    O        16.0621   26.8117   64.5691  O     
8    O        15.9416   26.8861   62.2199  O     
9    C        15.5550   21.9794   61.8883  C     
10   C        15.3519   21.2517   63.0998  C     
11   C        14.8771   19.9428   63.0158  C     
12   C        14.5374   19.4199   61.8157  C     
13   C        14.6168   20.1602   60.6738  C     
14   C        15.1201   21.4106   60.6896  C     
15   H        16.3727   23.6097   65.2648  H     
16   H        15.4659   21.3928   65.2174  H     
17   H        16.3842   23.7770   61.0576  H     
18   H        17.9675   25.1627   64.0796  H     
19   H        17.8892   25.2524   62.3222  H     
20   H        14.7907   19.3978   63.8393  H     
21   H        14.2024   18.4802   61.7848  H     
22   H        14.2497   19.7788   59.8249  H     
23   H        15.1208   21.9371   59.8477  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1    5 1
     4    2    3 1
     5    3   10 2
     6    4    9 2
     7    5    6 1
     8    6    7 2
     9    6    8 1
    10    9   10 1
    11    9   14 1
    12   10   11 1
    13   11   12 2
    14   12   13 1
    15   13   14 2
    16    2   15 1
    17    3   16 1
    18    4   17 1
    19    5   18 1
    20    5   19 1
    21   11   20 1
    22   12   21 1
    23   13   22 1
    24   14   23 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9493
  Crash		| -1.6545
  Polar		| 4.2162
  FragIndex	| 1
  FragRMSD	| 0.566