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


@<TRIPOS>ATOM
1    C        21.6969    7.5600   21.2226  C     
2    C        23.7445    5.9865   20.1654  C     
3    C        23.3472    5.8056   21.5100  C     
4    C        22.2762    6.5595   22.0319  C     
5    C        23.0740    6.9092   19.3108  C     
6    C        22.0657    7.7551   19.8667  C     
7    C        23.3822    7.0482   17.9522  C     
8    C        22.9247    8.1524   17.2011  C     
9    C        21.9037    8.9829   17.7806  C     
10   C        21.4196   10.1049   17.0584  C     
11   C        21.9288   10.4422   15.7953  C     
12   C        22.9481    9.6598   15.2313  C     
13   C        23.4332    8.5275   15.9171  C     
14   O        24.1428    6.2306   17.4020  O     
15   O        24.4482    7.8702   15.3019  O     
16   O        24.7731    5.1975   19.7373  O     
17   C        21.7009    6.2979   23.3833  C     
18   C        21.4309    8.7070   19.0598  C     
19   O        20.4558    9.2998   19.5073  O     
20   O        21.4252   11.5127   15.1346  O     
21   H        20.9675    8.1438   21.6343  H     
22   H        23.8141    5.1165   22.0882  H     
23   H        20.6736   10.7096   17.4359  H     
24   H        23.3219    9.9114   14.2998  H     
25   H        25.2326    8.4974   15.3147  H     
26   H        25.2806    5.7687   19.0889  H     
27   H        21.7678    7.1875   24.0084  H     
28   H        22.1928    5.4795   23.9037  H     
29   H        20.6460    6.0316   23.2837  H     
30   H        21.3782   12.2493   15.7990  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	| 4.2309
  Crash		| -1.3558
  Polar		| 1.1163
  FragIndex	| 1
  FragRMSD	| 0.335