@<TRIPOS>MOLECULE
BindingDB_68262
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.5657  -34.2163   -4.7259  C     
2    C        17.3218  -33.5415   -4.7678  C     
3    C        16.8762  -32.8241   -3.6493  C     
4    C        17.6700  -32.7358   -2.4993  C     
5    C        18.9241  -33.3847   -2.4502  C     
6    C        19.3930  -34.1413   -3.5633  C     
7    C        18.9398  -34.9574   -5.8652  C     
8    O        16.5316  -33.5812   -5.8767  O     
9    O        17.1758  -32.0176   -1.4570  O     
10   O        19.2694  -34.3167   -7.0169  O     
11   O        18.9611  -36.3066   -5.7864  O     
12   C        19.6789  -34.9056   -8.2604  C     
13   C        21.1229  -34.4874   -8.6358  C     
14   C        22.0889  -34.5363   -7.5500  C     
15   C        22.2528  -35.6035   -6.7526  C     
16   C        20.7753  -34.7426   -3.5697  C     
17   C        21.7622  -33.9551   -4.3051  C     
18   C        23.0972  -34.4563   -4.6052  C     
19   O        21.5203  -32.7979   -4.6242  O     
20   Cl       19.8291  -33.1809   -1.0280  Cl    
21   C        23.1532  -35.6462   -5.6076  C     
22   H        15.9701  -32.3512   -3.6771  H     
23   H        15.9802  -32.7617   -5.8659  H     
24   H        17.8544  -31.3391   -1.2535  H     
25   H        19.6076  -35.9952   -8.2323  H     
26   H        18.9987  -34.5644   -9.0400  H     
27   H        21.4739  -35.1343   -9.4417  H     
28   H        21.0885  -33.4635   -9.0188  H     
29   H        22.6278  -33.7204   -7.3685  H     
30   H        21.7112  -36.4185   -6.9301  H     
31   H        21.1615  -34.8893   -2.5601  H     
32   H        20.7244  -35.7413   -4.0019  H     
33   H        23.7118  -33.6504   -5.0201  H     
34   H        23.5753  -34.7594   -3.6704  H     
35   H        22.9578  -36.5676   -5.0499  H     
36   H        24.1742  -35.7288   -5.9865  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    7 1
     4    2    3 2
     5    2    8 1
     6    3    4 1
     7    4    5 2
     8    4    9 1
     9    5    6 1
    10    5   20 1
    11    6   16 1
    12    7   10 1
    13    7   11 2
    14   10   12 1
    15   12   13 1
    16   13   14 1
    17   14   15 2
    18   15   21 1
    19   16   17 1
    20   17   18 1
    21   17   19 2
    22   18   21 1
    23    3   22 1
    24    8   23 1
    25    9   24 1
    26   12   25 1
    27   12   26 1
    28   13   27 1
    29   13   28 1
    30   14   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   18   33 1
    35   18   34 1
    36   21   35 1
    37   21   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.2671
  Crash		| -1.6970
  Polar		| 1.3881
  FragIndex	| 1
  FragRMSD	| 1.459