@<TRIPOS>MOLECULE
BindingDB_22425
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        60.3590   35.5534   55.2611  C     
2    C        60.3609   34.3076   55.9219  C     
3    C        59.4549   34.0354   56.9688  C     
4    C        58.5666   35.0279   57.4618  C     
5    C        58.5654   36.2703   56.7736  C     
6    C        59.3990   36.5065   55.6624  C     
7    O        61.2282   35.7135   54.2007  O     
8    C        61.4104   36.9872   53.5376  C     
9    C        62.0780   36.7637   52.1409  C     
10   N        61.6690   35.5642   51.3338  N     
11   C        62.5856   34.3806   51.3937  C     
12   C        60.2499   35.1767   51.5554  C     
13   C        57.6699   34.7897   58.5372  C     
14   C        57.9692   34.0277   59.6348  C     
15   C        59.2629   33.5137   59.8473  C     
16   C        60.8783   31.6574   59.6529  C     
17   C        59.5596   32.1502   59.5593  C     
18   C        60.3244   34.3460   60.2747  C     
19   C        61.6364   33.8526   60.3875  C     
20   C        61.9231   32.5177   60.0560  C     
21   C        56.9902   33.7210   60.7093  C     
22   C        56.4010   35.3489   58.3678  C     
23   C        56.0558   36.5636   59.0065  C     
24   C        54.8876   37.2544   58.6378  C     
25   C        54.0503   36.7586   57.6183  C     
26   C        54.3714   35.5362   56.9967  C     
27   C        55.5303   34.8343   57.3725  C     
28   O        52.9763   37.4871   57.2007  O     
29   C        56.7888   34.7855   61.8437  C     
30   C        57.5803   35.8935   61.7510  C     
31   N        58.3191   36.7924   61.6995  N     
32   H        61.0154   33.5865   55.6191  H     
33   H        59.4488   33.0883   57.3576  H     
34   H        57.9508   37.0380   57.0592  H     
35   H        59.2777   37.3751   55.1369  H     
36   H        60.4833   37.5550   53.4118  H     
37   H        62.0678   37.6189   54.1582  H     
38   H        61.8980   37.6546   51.5367  H     
39   H        63.1577   36.7368   52.2721  H     
40   H        61.7072   35.8671   50.3555  H     
41   H        63.6252   34.6876   51.2374  H     
42   H        62.3320   33.6767   50.6047  H     
43   H        62.5119   33.8608   52.3543  H     
44   H        60.0918   34.8440   52.5791  H     
45   H        59.9803   34.3544   50.8864  H     
46   H        59.5960   36.0139   51.3365  H     
47   H        61.0829   30.6857   59.4166  H     
48   H        58.8270   31.5077   59.2468  H     
49   H        60.1539   35.3356   60.4903  H     
50   H        62.3975   34.4684   60.6889  H     
51   H        62.8777   32.1599   60.1204  H     
52   H        56.0131   33.5213   60.2691  H     
53   H        57.2431   32.7670   61.1975  H     
54   H        56.6891   36.9919   59.6928  H     
55   H        54.6709   38.1593   59.0609  H     
56   H        53.7788   35.1712   56.2429  H     
57   H        55.7540   33.9634   56.8873  H     
58   H        53.0067   37.4667   56.2173  H     
59   H        55.7653   35.1454   61.8244  H     
60   H        56.9537   34.3218   62.8252  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4   13 1
     8    5    6 2
     9    7    8 1
    10    8    9 1
    11    9   10 1
    12   10   11 1
    13   10   12 1
    14   13   14 2
    15   13   22 1
    16   14   15 1
    17   14   21 1
    18   15   17 2
    19   15   18 1
    20   16   17 1
    21   16   20 2
    22   18   19 2
    23   19   20 1
    24   21   29 1
    25   22   23 1
    26   22   27 2
    27   23   24 2
    28   24   25 1
    29   25   26 2
    30   25   28 1
    31   26   27 1
    32   29   30 1
    33   30   31 3
    34    2   32 1
    35    3   33 1
    36    5   34 1
    37    6   35 1
    38    8   36 1
    39    8   37 1
    40    9   38 1
    41    9   39 1
    42   10   40 1
    43   11   41 1
    44   11   42 1
    45   11   43 1
    46   12   44 1
    47   12   45 1
    48   12   46 1
    49   16   47 1
    50   17   48 1
    51   18   49 1
    52   19   50 1
    53   20   51 1
    54   21   52 1
    55   21   53 1
    56   23   54 1
    57   24   55 1
    58   26   56 1
    59   27   57 1
    60   28   58 1
    61   29   59 1
    62   29   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9071
  Crash		| -6.4670
  Polar		| 3.1194
  FragIndex	| 1
  FragRMSD	| 1.196