@<TRIPOS>MOLECULE
BindingDB_15361
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5947   -3.1528   -4.9965  C     
2    C        19.6320   -4.1036   -5.1343  C     
3    C        19.9339   -4.9705   -4.0711  C     
4    C        19.2837   -4.8519   -2.8349  C     
5    C        18.2977   -3.8519   -2.6503  C     
6    C        17.9105   -3.0156   -3.7487  C     
7    O        19.6683   -5.7053   -1.8435  O     
8    O        20.3427   -4.1998   -6.2936  O     
9    C        18.3811   -2.2658   -6.0725  C     
10   O        19.1419   -1.1435   -6.1270  O     
11   O        17.4276   -2.5596   -7.0068  O     
12   C        16.2451   -2.4907   -9.1641  C     
13   C        17.0310   -1.6867   -8.0862  C     
14   C        16.2165   -0.4811   -7.5397  C     
15   C        14.2263   -5.1095   -7.0096  C     
16   C        14.1070   -4.7122   -5.7283  C     
17   C        14.8122   -3.7130   -5.1258  C     
18   C        14.8708   -3.5513   -3.7912  C     
19   C        16.8230   -1.9793   -3.5576  C     
20   C        15.5210   -2.5211   -3.1726  C     
21   O        14.9802   -2.0590   -2.1710  O     
22   Cl       17.6318   -3.6551   -1.0903  Cl    
23   C        15.0078   -3.2374   -8.6137  C     
24   O        14.6769   -4.4654   -9.2917  O     
25   C        15.1965   -4.6039   -7.9568  C     
26   H        20.6626   -5.6781   -4.1836  H     
27   H        19.1845   -5.4466   -1.0302  H     
28   H        21.0596   -4.8396   -6.1070  H     
29   H        15.8970   -1.8092   -9.9472  H     
30   H        16.9289   -3.2085   -9.6294  H     
31   H        17.9262   -1.2909   -8.5818  H     
32   H        15.3534   -0.8214   -6.9712  H     
33   H        15.8747    0.1529   -8.3596  H     
34   H        16.8455    0.1258   -6.8767  H     
35   H        13.6662   -5.8831   -7.3177  H     
36   H        13.4438   -5.2240   -5.1771  H     
37   H        15.2557   -3.0425   -5.7071  H     
38   H        14.3723   -4.1962   -3.2113  H     
39   H        17.1828   -1.2862   -2.7886  H     
40   H        16.6406   -1.3738   -4.4499  H     
41   H        14.1163   -2.6738   -8.3156  H     
42   H        16.2023   -5.0290   -7.9470  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    9 1
     4    2    3 1
     5    2    8 1
     6    3    4 2
     7    4    5 1
     8    4    7 1
     9    5    6 2
    10    5   22 1
    11    6   19 1
    12    9   10 2
    13    9   11 1
    14   11   13 1
    15   12   13 1
    16   12   23 1
    17   13   14 1
    18   15   16 2
    19   15   25 1
    20   16   17 1
    21   17   18 2
    22   18   20 1
    23   19   20 1
    24   20   21 2
    25   23   24 1
    26   23   25 1
    27   24   25 1
    28    3   26 1
    29    7   27 1
    30    8   28 1
    31   12   29 1
    32   12   30 1
    33   13   31 1
    34   14   32 1
    35   14   33 1
    36   14   34 1
    37   15   35 1
    38   16   36 1
    39   17   37 1
    40   18   38 1
    41   19   39 1
    42   19   40 1
    43   23   41 1
    44   25   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7962
  Crash		| -1.4870
  Polar		| 2.6310
  FragIndex	| 1
  FragRMSD	| 0.310