@<TRIPOS>MOLECULE
BindingDB_25781
 50 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.5527   48.5010   36.0787  C     
2    C        51.2962   47.3024   36.2002  C     
3    C        52.5685   47.1364   35.5932  C     
4    C        52.9990   48.2114   34.7735  C     
5    C        52.2695   49.4109   34.6584  C     
6    C        51.0592   49.5975   35.3444  C     
7    C        50.3423   50.7910   35.2281  C     
8    O        50.3376   51.2675   34.0971  O     
9    C        48.7665   52.5280   35.9628  C     
10   C        49.9161   51.1684   37.6394  C     
11   C        50.3474   52.4694   38.3717  C     
12   C        49.2069   53.8271   36.6922  C     
13   N        49.6990   51.4369   36.2252  N     
14   N        49.4171   53.5595   38.1078  N     
15   C        48.7726   54.2730   39.0989  C     
16   C        48.4270   53.7006   40.3538  C     
17   C        48.4070   55.6359   38.9029  C     
18   C        47.7094   56.3671   39.8854  C     
19   C        47.3514   55.7527   41.0939  C     
20   C        47.7159   54.4216   41.3299  C     
21   Cl       47.3188   57.9884   39.6185  Cl    
22   C        53.4115   45.8924   35.8816  C     
23   C        54.8269   45.8687   35.2073  C     
24   C        53.6741   45.7937   37.4256  C     
25   C        52.6513   44.6147   35.3909  C     
26   H        49.6435   48.5529   36.5291  H     
27   H        50.8871   46.5690   36.7769  H     
28   H        53.8668   48.1805   34.2499  H     
29   H        52.6646   50.1548   34.0778  H     
30   H        47.7821   52.2286   36.3354  H     
31   H        48.6422   52.7629   34.9033  H     
32   H        50.7083   50.4423   37.8361  H     
33   H        48.9931   50.7747   38.0779  H     
34   H        50.4966   52.2419   39.4283  H     
35   H        51.3317   52.7616   37.9882  H     
36   H        50.1306   54.2034   36.2468  H     
37   H        48.4198   54.5569   36.4888  H     
38   H        48.6298   52.7264   40.5650  H     
39   H        48.6903   56.1362   38.0628  H     
40   H        46.8350   56.2747   41.8033  H     
41   H        47.4400   53.9695   42.2069  H     
42   H        54.7383   45.8228   34.1286  H     
43   H        55.4152   44.9812   35.5002  H     
44   H        55.4106   46.7474   35.4759  H     
45   H        54.3163   46.6158   37.7524  H     
46   H        54.1689   44.8521   37.6815  H     
47   H        52.7566   45.8421   38.0082  H     
48   H        51.7227   44.4572   35.9400  H     
49   H        53.2580   43.7166   35.5232  H     
50   H        52.4057   44.7025   34.3301  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    5    6 2
     8    6    7 1
     9    7    8 2
    10    7   13 1
    11    9   12 1
    12    9   13 1
    13   10   11 1
    14   10   13 1
    15   11   14 1
    16   12   14 1
    17   14   15 1
    18   15   16 2
    19   15   17 1
    20   16   20 1
    21   17   18 2
    22   18   19 1
    23   18   21 1
    24   19   20 2
    25   22   23 1
    26   22   24 1
    27   22   25 1
    28    1   26 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   10   33 1
    36   11   34 1
    37   11   35 1
    38   12   36 1
    39   12   37 1
    40   16   38 1
    41   17   39 1
    42   19   40 1
    43   20   41 1
    44   23   42 1
    45   23   43 1
    46   23   44 1
    47   24   45 1
    48   24   46 1
    49   24   47 1
    50   25   48 1
    51   25   49 1
    52   25   50 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.6603
  Crash		| -3.5399
  Polar		| 1.0770
  FragIndex	| 1
  FragRMSD	| 0.364