@<TRIPOS>MOLECULE
BindingDB_14152
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.1218   -6.1437   26.1426  C     
2    C        16.1414   -6.6404   25.2351  C     
3    C        14.8091   -6.1150   25.3312  C     
4    C        14.4767   -5.1719   26.3324  C     
5    C        16.7690   -5.2002   27.1193  C     
6    C        15.4637   -4.7466   27.2283  C     
7    C        16.6084   -3.7483   28.8388  C     
8    N        15.3920   -3.9106   28.2749  N     
9    C        16.5524   -7.6198   24.2729  C     
10   N        15.8935   -7.8339   23.1176  N     
11   N        17.6545   -8.3819   24.4233  N     
12   C        16.9027   -2.9188   29.9570  C     
13   C        17.5041   -1.3248   32.2327  C     
14   C        16.4021   -0.9856   31.4200  C     
15   C        16.1001   -1.7902   30.2890  C     
16   C        18.0154   -3.2106   30.7829  C     
17   C        18.3079   -2.4298   31.9113  C     
18   C        15.6177    0.1471   31.7620  C     
19   C        14.0125    1.2421   33.2522  C     
20   C        14.0390    2.3942   32.4437  C     
21   C        14.8616    2.4309   31.3016  C     
22   C        15.6449    1.3142   30.9619  C     
23   C        14.8015    0.1268   32.9169  C     
24   O        15.0105   -1.4795   29.5332  O     
25   C        17.4983   -4.5583   28.1128  C     
26   Cl       13.5150   -6.5976   24.3449  Cl    
27   H        18.0961   -6.4544   26.1064  H     
28   H        13.5269   -4.7995   26.4203  H     
29   H        14.5674   -3.5180   28.5930  H     
30   H        16.2412   -8.4775   22.4774  H     
31   H        17.9137   -8.9983   23.7186  H     
32   H        18.1930   -8.3324   25.2266  H     
33   H        17.7383   -0.7647   33.0574  H     
34   H        18.6129   -4.0165   30.5914  H     
35   H        19.1073   -2.6643   32.5041  H     
36   H        13.4171    1.2158   34.0824  H     
37   H        13.4633    3.2017   32.6855  H     
38   H        14.8864    3.2718   30.7201  H     
39   H        16.2412    1.3594   30.1300  H     
40   H        14.7669   -0.7046   33.5123  H     
41   H        15.1121   -0.5363   29.2894  H     
42   H        18.5037   -4.6575   28.2616  H     
43   H        15.1004   -7.3252   22.8890  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    3   26 1
     7    4    6 1
     8    5    6 2
     9    5   25 1
    10    6    8 1
    11    7    8 1
    12    7   12 1
    13    7   25 2
    14    9   10 2
    15    9   11 1
    16   12   15 2
    17   12   16 1
    18   13   14 2
    19   13   17 1
    20   14   15 1
    21   14   18 1
    22   15   24 1
    23   16   17 2
    24   18   22 1
    25   18   23 2
    26   19   20 2
    27   19   23 1
    28   20   21 1
    29   21   22 2
    30    1   27 1
    31    4   28 1
    32    8   29 1
    33   10   30 1
    34   11   31 1
    35   11   32 1
    36   13   33 1
    37   16   34 1
    38   17   35 1
    39   19   36 1
    40   20   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   24   41 1
    45   25   42 1
    46   10   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.2390
  Crash		| -1.5136
  Polar		| 6.1111
  FragIndex	| 1
  FragRMSD	| 0.457