@<TRIPOS>MOLECULE
BindingDB_18777
 51 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        90.2874   11.3764   36.7921  C     
2    C        90.3263   11.6360   35.4140  C     
3    C        89.2674   12.3266   34.7618  C     
4    C        88.1461   12.7002   35.5575  C     
5    C        88.1129   12.4594   36.9377  C     
6    C        89.2022   11.8199   37.5665  C     
7    C        89.3212   12.6894   33.3807  C     
8    C        88.3342   12.2076   32.4725  C     
9    C        89.3218   13.3646   30.6597  C     
10   C        90.2922   13.5880   32.8386  C     
11   N        87.3367   11.3770   32.8321  N     
12   N        89.4033   13.6845   29.3560  N     
13   N        88.3684   12.5475   31.1581  N     
14   N        90.2354   13.8666   31.5074  N     
15   Cl       89.2013   11.6092   39.2475  Cl    
16   C        91.4146   14.2941   33.5415  C     
17   C        91.2499   15.8517   33.5627  C     
18   C        90.4146   16.4705   34.7272  C     
19   C        89.4334   15.5178   35.4460  C     
20   C        88.7247   16.1229   36.6905  C     
21   C        89.5490   15.9850   38.0155  C     
22   C        88.8740   16.5787   39.2882  C     
23   C        89.7413   17.5850   40.0988  C     
24   C        89.9985   18.9423   39.3966  C     
25   H        91.0566   10.8628   37.2342  H     
26   H        91.1468   11.3385   34.8746  H     
27   H        87.3663   13.2078   35.1307  H     
28   H        87.3008   12.7561   37.4843  H     
29   H        86.6949   11.0872   32.1708  H     
30   H        87.2435   11.0717   33.7498  H     
31   H        90.1314   14.2594   29.0516  H     
32   H        88.7790   13.3122   28.7133  H     
33   H        91.6219   13.9369   34.5332  H     
34   H        92.3214   14.0525   32.9723  H     
35   H        92.2508   16.2961   33.6347  H     
36   H        90.8236   16.1957   32.6188  H     
37   H        91.0950   16.9004   35.4634  H     
38   H        89.8215   17.2821   34.3005  H     
39   H        88.6930   15.1768   34.7144  H     
40   H        90.0015   14.6615   35.7814  H     
41   H        88.4590   17.1676   36.4845  H     
42   H        87.7704   15.5960   36.8365  H     
43   H        89.7197   14.9156   38.1801  H     
44   H        90.5425   16.4314   37.8940  H     
45   H        87.9211   17.0536   39.0394  H     
46   H        88.6376   15.7529   39.9663  H     
47   H        89.2370   17.7811   41.0501  H     
48   H        90.7085   17.1209   40.3276  H     
49   H        90.6101   18.8027   38.5085  H     
50   H        90.5405   19.6113   40.0735  H     
51   H        89.0526   19.4168   39.1147  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   15 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   16 1
    18   16   17 1
    19   17   18 1
    20   18   19 1
    21   19   20 1
    22   20   21 1
    23   21   22 1
    24   22   23 1
    25   23   24 1
    26    1   25 1
    27    2   26 1
    28    4   27 1
    29    5   28 1
    30   11   29 1
    31   11   30 1
    32   12   31 1
    33   12   32 1
    34   16   33 1
    35   16   34 1
    36   17   35 1
    37   17   36 1
    38   18   37 1
    39   18   38 1
    40   19   39 1
    41   19   40 1
    42   20   41 1
    43   20   42 1
    44   21   43 1
    45   21   44 1
    46   22   45 1
    47   22   46 1
    48   23   47 1
    49   23   48 1
    50   24   49 1
    51   24   50 1
    52   24   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2584
  Crash		| -1.1496
  Polar		| 2.2348
  FragIndex	| 1
  FragRMSD	| 0.644