@<TRIPOS>MOLECULE
BindingDB_68250
 45 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        18.6156  -34.9272  -60.4712  C     
2    C        17.3918  -34.4331  -60.9663  C     
3    C        16.5311  -33.6863  -60.1351  C     
4    C        16.8336  -33.5187  -58.7682  C     
5    C        17.9986  -34.1111  -58.2329  C     
6    C        18.9446  -34.7682  -59.0810  C     
7    C        19.4603  -35.5648  -61.3970  C     
8    O        16.9702  -34.6900  -62.2465  O     
9    O        15.9803  -32.7802  -57.9993  O     
10   Cl       18.2020  -34.0193  -56.5440  Cl    
11   O        19.8184  -34.9206  -62.5373  O     
12   O        19.7344  -36.8854  -61.2417  O     
13   C        20.4991  -35.4484  -63.6880  C     
14   C        21.9771  -35.8653  -63.4214  C     
15   C        22.8052  -34.8072  -62.8689  C     
16   C        23.5121  -34.9202  -61.7320  C     
17   C        20.2645  -35.2242  -58.5282  C     
18   C        21.0855  -34.1833  -57.9025  C     
19   C        21.3390  -32.8847  -58.5298  C     
20   C        22.1081  -32.9082  -59.8590  C     
21   C        23.5594  -33.4503  -59.7330  C     
22   C        24.1996  -33.8066  -61.1003  C     
23   O        21.4981  -34.3666  -56.7617  O     
24   C        20.3820  -34.4379  -64.8463  C     
25   H        15.6726  -33.2728  -60.5065  H     
26   H        16.8945  -35.6704  -62.3220  H     
27   H        15.6966  -32.0271  -58.5762  H     
28   H        19.9434  -36.3470  -63.9890  H     
29   H        21.9790  -36.7509  -62.7640  H     
30   H        22.4276  -36.1836  -64.3648  H     
31   H        22.8501  -33.9432  -63.3631  H     
32   H        23.4971  -35.7908  -61.2470  H     
33   H        20.0562  -36.0174  -57.7969  H     
34   H        20.9099  -35.6817  -59.2812  H     
35   H        20.3710  -32.4049  -58.7084  H     
36   H        21.8898  -32.2269  -57.8329  H     
37   H        21.5412  -33.5011  -60.5872  H     
38   H        22.1614  -31.8882  -60.2583  H     
39   H        24.1742  -32.6953  -59.2394  H     
40   H        23.5737  -34.3450  -59.0993  H     
41   H        25.2435  -34.1092  -60.9338  H     
42   H        24.2133  -32.9163  -61.7263  H     
43   H        19.3529  -34.0759  -64.9215  H     
44   H        20.6482  -34.9289  -65.7825  H     
45   H        21.0416  -33.5862  -64.6998  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   10 1
    11    6   17 1
    12    7   11 1
    13    7   12 2
    14   11   13 1
    15   13   14 1
    16   13   24 1
    17   14   15 1
    18   15   16 2
    19   16   22 1
    20   17   18 1
    21   18   19 1
    22   18   23 2
    23   19   20 1
    24   20   21 1
    25   21   22 1
    26    3   25 1
    27    8   26 1
    28    9   27 1
    29   13   28 1
    30   14   29 1
    31   14   30 1
    32   15   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
    36   19   35 1
    37   19   36 1
    38   20   37 1
    39   20   38 1
    40   21   39 1
    41   21   40 1
    42   22   41 1
    43   22   42 1
    44   24   43 1
    45   24   44 1
    46   24   45 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 1.8174
  Crash		| -4.2164
  Polar		| 1.4592
  FragIndex	| 1
  FragRMSD	| 1.320