@<TRIPOS>MOLECULE
BindingDB_17978
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.7473   89.4513  163.0557  C     
2    C         1.4120   87.2674  162.4230  C     
3    C         2.7699   87.6704  162.4073  C     
4    C         3.0688   89.0147  162.7618  C     
5    N         2.0379   89.8457  163.0584  N     
6    N         0.4520   88.1619  162.7611  N     
7    N        -0.2161   90.3317  163.3572  N     
8    N         1.0039   86.0208  162.1102  N     
9    C         4.4344   89.5924  162.8507  C     
10   C         4.6732   90.7063  161.8060  C     
11   C         3.7501   86.8545  161.8133  C     
12   C         4.1318   87.1469  160.4826  C     
13   C         4.3433   85.7726  162.4927  C     
14   C         5.3458   85.0239  161.8539  C     
15   C         5.1218   86.3870  159.8086  C     
16   C         5.7143   85.3182  160.5275  C     
17   C         6.6537   84.4000  158.5137  C     
18   C         6.2070   85.6218  157.8291  C     
19   O         6.6986   84.5611  159.9509  O     
20   N         5.5131   86.5853  158.4748  N     
21   C         5.1388   87.8189  157.7723  C     
22   C         3.6121   87.8709  157.4363  C     
23   C         2.8895   89.2269  157.7152  C     
24   O         2.9106   90.1295  156.5823  O     
25   C         3.4139   91.4494  156.8462  C     
26   O         6.5003   85.7148  156.6402  O     
27   C         5.9117   83.1708  158.0766  C     
28   C         4.9968   82.4884  158.9185  C     
29   C         6.1490   82.6214  156.7890  C     
30   C         5.5009   81.4446  156.3665  C     
31   C         4.5959   80.7855  157.2175  C     
32   C         4.3407   81.3151  158.4962  C     
33   F         3.5101   80.7145  159.3064  F     
34   F         4.0019   79.6942  156.8163  F     
35   H        -1.1433   90.0625  163.3355  H     
36   H         0.0169   91.2516  163.5528  H     
37   H         0.0547   85.8072  162.1131  H     
38   H         1.6490   85.3307  161.8817  H     
39   H         4.5726   90.0110  163.8514  H     
40   H         5.2076   88.8336  162.7221  H     
41   H         4.5712   90.3088  160.7930  H     
42   H         5.6826   91.1098  161.9236  H     
43   H         3.9562   91.5217  161.9425  H     
44   H         3.6867   87.9282  159.9942  H     
45   H         4.0670   85.5526  163.4535  H     
46   H         5.7877   84.2465  162.3502  H     
47   H         7.7071   84.2413  158.2623  H     
48   H         5.4390   88.6803  158.3838  H     
49   H         5.6889   87.9589  156.8316  H     
50   H         3.4674   87.6015  156.3808  H     
51   H         3.0948   87.0954  158.0198  H     
52   H         1.8275   89.0140  157.8928  H     
53   H         3.2700   89.6868  158.6463  H     
54   H         2.7914   91.9613  157.5855  H     
55   H         3.3643   92.0093  155.9100  H     
56   H         4.4517   91.4178  157.1918  H     
57   H         4.8033   82.8311  159.8583  H     
58   H         6.8153   83.0622  156.1521  H     
59   H         5.7032   81.0572  155.4427  H     
@<TRIPOS>BOND
     1    1    5 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    2    6 2
     6    2    8 1
     7    3    4 2
     8    3   11 1
     9    4    5 1
    10    4    9 1
    11    9   10 1
    12   11   12 1
    13   11   13 2
    14   12   15 2
    15   13   14 1
    16   14   16 2
    17   15   16 1
    18   15   20 1
    19   16   19 1
    20   17   18 1
    21   17   19 1
    22   17   27 1
    23   18   20 1
    24   18   26 2
    25   20   21 1
    26   21   22 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   27   28 1
    31   27   29 2
    32   28   32 2
    33   29   30 1
    34   30   31 2
    35   31   32 1
    36   31   34 1
    37   32   33 1
    38    7   35 1
    39    7   36 1
    40    8   37 1
    41    8   38 1
    42    9   39 1
    43    9   40 1
    44   10   41 1
    45   10   42 1
    46   10   43 1
    47   12   44 1
    48   13   45 1
    49   14   46 1
    50   17   47 1
    51   21   48 1
    52   21   49 1
    53   22   50 1
    54   22   51 1
    55   23   52 1
    56   23   53 1
    57   25   54 1
    58   25   55 1
    59   25   56 1
    60   28   57 1
    61   29   58 1
    62   30   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6283
  Crash		| -1.5861
  Polar		| 3.4139
  FragIndex	| 1
  FragRMSD	| 0.629