@<TRIPOS>MOLECULE
BindingDB_11318
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.3298    8.3461   17.7514  C     
2    C        23.9006    7.7139   15.5126  C     
3    C        23.0934    8.8708   15.5138  C     
4    C        22.3043    9.2020   16.6337  C     
5    C        23.9433    6.8578   16.6538  C     
6    C        23.1418    7.1828   17.7907  C     
7    C        24.7689    5.7181   16.7251  C     
8    C        24.8582    4.9375   17.8987  C     
9    C        24.0337    5.2688   19.0204  C     
10   C        24.1071    4.4758   20.1967  C     
11   C        24.9794    3.3773   20.2752  C     
12   C        25.8179    3.0779   19.1964  C     
13   C        25.7627    3.8446   18.0236  C     
14   O        25.4231    5.3905   15.7433  O     
15   O        26.6171    3.4792   17.0349  O     
16   O        24.6449    7.4723   14.3866  O     
17   C        21.4719   10.4220   16.6841  C     
18   C        23.1831    6.3814   18.9414  C     
19   O        22.5080    6.6880   19.9213  O     
20   O        25.0361    2.5974   21.3791  O     
21   H        21.7621    8.6022   18.5646  H     
22   H        23.0903    9.4862   14.6941  H     
23   H        23.5312    4.6869   21.0126  H     
24   H        26.4639    2.2823   19.2649  H     
25   H        27.4067    4.0555   17.1604  H     
26   H        24.6688    8.2934   13.8663  H     
27   H        20.4213   10.1339   16.7408  H     
28   H        21.6188   11.0614   15.8163  H     
29   H        21.7247   11.0113   17.5671  H     
30   H        24.1917    2.0949   21.3602  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   16 1
     6    3    4 1
     7    4   17 1
     8    5    6 2
     9    5    7 1
    10    6   18 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   18 1
    17   10   11 2
    18   11   12 1
    19   11   20 1
    20   12   13 2
    21   13   15 1
    22   18   19 2
    23    1   21 1
    24    3   22 1
    25   10   23 1
    26   12   24 1
    27   15   25 1
    28   16   26 1
    29   17   27 1
    30   17   28 1
    31   17   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5542
  Crash		| -0.9627
  Polar		| 2.8546
  FragIndex	| 1
  FragRMSD	| 0.400