@<TRIPOS>MOLECULE
BindingDB_14142
 43 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        17.0054   -6.4206   26.4233  C     
2    C        16.4372   -6.4625   25.1186  C     
3    C        15.6596   -5.3486   24.6861  C     
4    C        15.4702   -4.2163   25.5055  C     
5    C        16.7983   -5.2930   27.2391  C     
6    C        16.0530   -4.2128   26.7801  C     
7    C        16.7355   -3.6790   28.8118  C     
8    N        16.0388   -3.2719   27.7302  N     
9    C        16.6885   -7.5529   24.2398  C     
10   N        15.8674   -7.8574   23.2115  N     
11   N        17.7953   -8.3185   24.3359  N     
12   C        16.9620   -2.8803   29.9740  C     
13   C        17.5537   -1.2354   32.2186  C     
14   C        16.4256   -0.9376   31.4247  C     
15   C        16.1321   -1.7698   30.3108  C     
16   C        18.0735   -3.1520   30.8125  C     
17   C        18.3702   -2.3388   31.9179  C     
18   C        15.6202    0.1876   31.7584  C     
19   C        14.0080    1.2827   33.2468  C     
20   C        13.9803    2.4109   32.4015  C     
21   C        14.7878    2.4418   31.2514  C     
22   C        15.5957    1.3361   30.9254  C     
23   C        14.8280    0.1829   32.9334  C     
24   O        15.0073   -1.5182   29.5862  O     
25   C        17.2261   -4.9601   28.5166  C     
26   H        17.5700   -7.1947   26.7808  H     
27   H        15.2466   -5.3236   23.7493  H     
28   H        14.9242   -3.4135   25.1813  H     
29   H        15.6108   -2.4087   27.6325  H     
30   H        16.1288   -8.5366   22.5685  H     
31   H        17.9610   -8.9952   23.6598  H     
32   H        18.4411   -8.1880   25.0423  H     
33   H        17.8023   -0.6482   33.0204  H     
34   H        18.7057   -3.9331   30.6129  H     
35   H        19.1877   -2.5435   32.4986  H     
36   H        13.4311    1.2654   34.0916  H     
37   H        13.3838    3.2100   32.6288  H     
38   H        14.7843    3.2705   30.6487  H     
39   H        16.1910    1.3934   30.0966  H     
40   H        14.8304   -0.6250   33.5597  H     
41   H        15.0512   -0.5528   29.3647  H     
42   H        17.8044   -5.5545   29.1123  H     
43   H        15.0482   -7.3577   23.0685  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 2
     6    4    6 1
     7    5    6 2
     8    5   25 1
     9    6    8 1
    10    7    8 1
    11    7   12 1
    12    7   25 2
    13    9   10 2
    14    9   11 1
    15   12   15 2
    16   12   16 1
    17   13   14 2
    18   13   17 1
    19   14   15 1
    20   14   18 1
    21   15   24 1
    22   16   17 2
    23   18   22 1
    24   18   23 2
    25   19   20 2
    26   19   23 1
    27   20   21 1
    28   21   22 2
    29    1   26 1
    30    3   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	| 8.3014
  Crash		| -1.3494
  Polar		| 5.7160
  FragIndex	| 1
  FragRMSD	| 0.540

@<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