@<TRIPOS>MOLECULE
BindingDB_15654
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        40.7039   52.0950  -79.2622  C     
2    C        40.1325   52.1060  -81.4500  C     
3    C        39.6080   50.8495  -80.9949  C     
4    N        40.7811   52.7911  -80.5053  N     
5    C        41.3962   54.1194  -80.5970  C     
6    C        41.9870   54.4530  -83.1073  C     
7    C        43.4933   54.2773  -82.7826  C     
8    C        43.7350   53.4847  -81.4747  C     
9    C        42.9340   54.1024  -80.3029  C     
10   C        41.1622   54.9611  -81.8910  C     
11   O        39.9343   52.4485  -82.6105  O     
12   C        39.5996   51.0185  -79.4571  C     
13   C        38.2641   51.3407  -78.9336  C     
14   O        37.8775   52.5126  -78.8610  O     
15   N        37.5290   50.3610  -78.4197  N     
16   C        36.2838   50.3650  -77.8495  C     
17   C        34.0091   51.2246  -77.4363  C     
18   C        35.2768   51.3518  -78.0415  C     
19   C        35.9666   49.2551  -77.0328  C     
20   C        34.7112   49.1417  -76.4065  C     
21   C        33.7354   50.1312  -76.5934  C     
22   Cl       32.2514   50.0258  -75.7835  Cl    
23   H        41.6668   51.6186  -79.0543  H     
24   H        40.4764   52.7745  -78.4360  H     
25   H        38.6126   50.6374  -81.4075  H     
26   H        40.3015   50.0575  -81.3023  H     
27   H        40.9457   54.6979  -79.7850  H     
28   H        41.8748   55.1606  -83.9316  H     
29   H        41.6066   53.4955  -83.4607  H     
30   H        43.9800   53.7511  -83.6088  H     
31   H        43.9594   55.2613  -82.6845  H     
32   H        43.4372   52.4416  -81.6134  H     
33   H        44.8039   53.5035  -81.2385  H     
34   H        43.2855   55.1292  -80.1464  H     
35   H        43.1656   53.5580  -79.3847  H     
36   H        40.0976   54.9478  -82.1370  H     
37   H        41.4490   56.0108  -81.6973  H     
38   H        39.9445   50.0874  -78.9927  H     
39   H        37.9779   49.4948  -78.4007  H     
40   H        33.2933   51.9376  -77.5958  H     
41   H        35.4481   52.1639  -78.6301  H     
42   H        36.6612   48.5206  -76.8775  H     
43   H        34.5239   48.3313  -75.8101  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1   12 1
     3    2    3 1
     4    2    4 1
     5    2   11 2
     6    3   12 1
     7    4    5 1
     8    5    9 1
     9    5   10 1
    10    6    7 1
    11    6   10 1
    12    7    8 1
    13    8    9 1
    14   12   13 1
    15   13   14 2
    16   13   15 am
    17   15   16 1
    18   16   18 1
    19   16   19 2
    20   17   18 2
    21   17   21 1
    22   19   20 1
    23   20   21 2
    24   21   22 1
    25    1   23 1
    26    1   24 1
    27    3   25 1
    28    3   26 1
    29    5   27 1
    30    6   28 1
    31    6   29 1
    32    7   30 1
    33    7   31 1
    34    8   32 1
    35    8   33 1
    36    9   34 1
    37    9   35 1
    38   10   36 1
    39   10   37 1
    40   12   38 1
    41   15   39 1
    42   17   40 1
    43   18   41 1
    44   19   42 1
    45   20   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0984
  Crash		| -1.9269
  Polar		| 1.3890
  FragIndex	| 1
  FragRMSD	| 1.239