@<TRIPOS>MOLECULE
BindingDB_12124
 54 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        19.5667   -2.2084    9.2448  C     
2    C        18.9645   -0.9431    9.1334  C     
3    N        19.8534   -0.1413    8.5013  N     
4    C        20.9759   -0.8253    8.2007  C     
5    C        20.8200   -2.1334    8.6671  C     
6    C        22.1590   -0.4478    7.5396  C     
7    C        23.1838   -1.4108    7.3508  C     
8    C        21.8146   -3.1101    8.4660  C     
9    C        17.6532   -0.6239    9.4483  C     
10   C        16.7659   -1.3355   10.2261  C     
11   C        14.3385   -1.2988   10.5159  C     
12   C        15.5241   -0.7808    9.9597  C     
13   C        16.8777   -2.3575   11.1789  C     
14   C        15.7028   -2.8712   11.7789  C     
15   C        14.4072   -2.3887   11.4265  C     
16   N        16.9907    0.3003    8.8423  N     
17   N        15.7505    0.2304    9.1187  N     
18   C        23.0167   -2.7565    7.8014  C     
19   C        24.0822   -3.7797    7.5878  C     
20   C        22.3314   -5.4921    5.4012  C     
21   C        24.3529   -6.7647    6.3079  C     
22   C        25.2093   -5.4667    6.1060  C     
23   C        23.2624   -4.2681    5.1806  C     
24   N        24.3893   -4.2007    6.1657  N     
25   C        23.1398   -6.8131    5.3488  C     
26   C        13.2383   -2.9948   11.9394  C     
27   C        12.1311   -3.2830   11.2281  C     
28   C        13.0632   -3.3976   13.2026  C     
29   S        11.5267   -4.0466   13.5032  S     
30   N        11.1920   -3.8104   11.9088  N     
31   H        19.1485   -3.0708    9.5947  H     
32   H        19.6970    0.7905    8.2828  H     
33   H        22.2851    0.5126    7.1986  H     
34   H        24.0493   -1.1360    6.8671  H     
35   H        21.6646   -4.0655    8.8011  H     
36   H        13.4463   -0.8610   10.2609  H     
37   H        17.7831   -2.7348   11.4591  H     
38   H        15.8088   -3.6330   12.4565  H     
39   H        15.0671    0.8212    8.7662  H     
40   H        25.0186   -3.3727    8.0108  H     
41   H        23.8563   -4.6613    8.2131  H     
42   H        21.8291   -5.4073    6.3692  H     
43   H        21.5593   -5.5082    4.6326  H     
44   H        24.9871   -7.6457    6.1417  H     
45   H        23.9929   -6.8125    7.3412  H     
46   H        26.0170   -5.4473    6.8458  H     
47   H        25.6785   -5.5175    5.1120  H     
48   H        23.6790   -4.3231    4.1675  H     
49   H        22.6653   -3.3574    5.2042  H     
50   H        25.0072   -3.4555    5.8177  H     
51   H        22.4854   -7.6514    5.6206  H     
52   H        23.4956   -6.9654    4.3223  H     
53   H        12.0142   -3.1231   10.2532  H     
54   H        13.7126   -3.2455   13.9393  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    2    3 1
     4    2    9 1
     5    3    4 1
     6    4    5 2
     7    4    6 1
     8    5    8 1
     9    6    7 2
    10    7   18 1
    11    8   18 2
    12    9   10 1
    13    9   16 2
    14   10   12 1
    15   10   13 2
    16   11   12 2
    17   11   15 1
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   26 1
    22   16   17 1
    23   18   19 1
    24   19   24 1
    25   20   23 1
    26   20   25 1
    27   21   22 1
    28   21   25 1
    29   22   24 1
    30   23   24 1
    31   26   27 1
    32   26   28 2
    33   27   30 2
    34   28   29 1
    35   29   30 1
    36    1   31 1
    37    3   32 1
    38    6   33 1
    39    7   34 1
    40    8   35 1
    41   11   36 1
    42   13   37 1
    43   14   38 1
    44   17   39 1
    45   19   40 1
    46   19   41 1
    47   20   42 1
    48   20   43 1
    49   21   44 1
    50   21   45 1
    51   22   46 1
    52   22   47 1
    53   23   48 1
    54   23   49 1
    55   24   50 1
    56   25   51 1
    57   25   52 1
    58   27   53 1
    59   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7820
  Crash		| -0.4784
  Polar		| 1.7691
  FragIndex	| 1
  FragRMSD	| 0.829