@<TRIPOS>MOLECULE
BindingDB_8066
 42 44 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         5.2844   46.1251    1.4980  C     
2    C         6.4802   48.0813    1.3171  C     
3    C         5.3057   48.6706    1.8454  C     
4    N         6.4395   46.7314    1.1525  N     
5    C         7.7306   48.7706    0.9402  C     
6    S         4.2121   47.3416    2.0399  S     
7    C         4.9120   49.9970    2.1949  C     
8    C         5.7428   51.1431    2.1030  C     
9    C         5.1999   52.3896    2.4636  C     
10   C         3.1160   51.3802    2.9656  C     
11   N         3.6460   50.1723    2.6357  N     
12   N         3.9141   52.4807    2.8859  N     
13   N         1.8327   51.5757    3.3468  N     
14   C         0.8001   50.6868    3.4357  C     
15   C        -0.3642   48.5885    2.9185  C     
16   C         0.7179   49.4647    2.7275  C     
17   C        -0.2951   51.0419    4.2466  C     
18   C        -1.3849   50.1776    4.4190  C     
19   C        -1.4614   48.9050    3.7783  C     
20   C         5.0316   44.6865    1.4926  C     
21   N        -2.5354   48.0489    3.9656  N     
22   C        -2.6896   46.8360    3.1763  C     
23   C        -3.5533   48.3093    4.9724  C     
24   H         7.5307   49.5030    0.1561  H     
25   H         8.4781   48.0633    0.5651  H     
26   H         8.1470   49.2707    1.8106  H     
27   H         6.7108   51.1018    1.7778  H     
28   H         5.7741   53.2361    2.4041  H     
29   H         1.6110   52.4841    3.6051  H     
30   H        -0.3449   47.7095    2.3940  H     
31   H         1.4292   49.2163    2.0433  H     
32   H        -0.2993   51.9439    4.7344  H     
33   H        -2.1392   50.4951    5.0333  H     
34   H         5.1728   44.2778    0.4890  H     
35   H         4.0114   44.4751    1.8196  H     
36   H         5.7292   44.2000    2.1720  H     
37   H        -2.7389   47.0824    2.1071  H     
38   H        -3.5910   46.2559    3.4141  H     
39   H        -1.8406   46.1659    3.3527  H     
40   H        -3.0839   48.3878    5.9557  H     
41   H        -4.3215   47.5348    5.0529  H     
42   H        -4.0678   49.2444    4.7408  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   20 1
     4    2    3 2
     5    2    4 1
     6    2    5 1
     7    3    6 1
     8    3    7 1
     9    7    8 1
    10    7   11 2
    11    8    9 2
    12    9   12 1
    13   10   11 1
    14   10   12 2
    15   10   13 1
    16   13   14 1
    17   14   16 1
    18   14   17 2
    19   15   16 2
    20   15   19 1
    21   17   18 1
    22   18   19 2
    23   19   21 1
    24   21   22 1
    25   21   23 1
    26    5   24 1
    27    5   25 1
    28    5   26 1
    29    8   27 1
    30    9   28 1
    31   13   29 1
    32   15   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   20   34 1
    37   20   35 1
    38   20   36 1
    39   22   37 1
    40   22   38 1
    41   22   39 1
    42   23   40 1
    43   23   41 1
    44   23   42 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6591
  Crash		| -1.2490
  Polar		| 3.1551
  FragIndex	| 1
  FragRMSD	| 0.139