@<TRIPOS>MOLECULE
BindingDB_23882
 77 80 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8521   64.3075   30.0170  C     
2    C        16.5808   65.0266   29.0414  C     
3    S        18.2159   64.4694   28.7623  S     
4    O        19.3452   65.5715   28.5695  O     
5    O        18.7322   63.7759   30.0972  O     
6    N        18.3413   63.2272   27.6291  N     
7    C        18.3083   63.4444   26.2097  C     
8    C        17.0691   62.9060   25.6187  C     
9    O        16.6925   61.8428   26.1026  O     
10   C        19.6224   62.8999   25.5545  C     
11   C        19.5834   61.5031   25.0283  C     
12   C        19.2275   61.2664   23.6820  C     
13   C        19.1840   59.9601   23.1729  C     
14   C        19.5121   58.8735   23.9985  C     
15   C        19.8832   59.0657   25.3525  C     
16   C        19.8879   60.3965   25.8521  C     
17   C        20.3020   57.9626   26.1624  C     
18   N        20.0810   56.6791   25.8277  N     
19   N        20.9956   58.1168   27.3041  N     
20   C        15.2634   62.7218   23.9760  C     
21   C        14.1906   63.7758   23.5817  C     
22   C        16.1015   64.9261   22.5345  C     
23   C        16.9367   64.5420   23.7868  C     
24   N        16.4472   63.3779   24.5169  N     
25   N        14.6954   64.9613   22.8869  N     
26   C        13.8530   65.9917   22.6426  C     
27   O        12.6767   65.8764   22.9745  O     
28   C        14.1603   67.2763   22.0072  C     
29   C        13.6659   67.3742   20.5363  C     
30   N        12.2677   67.1508   20.3297  N     
31   C        11.2371   67.8638   20.8417  C     
32   N         9.9971   67.4636   20.5189  N     
33   N        11.3568   68.9353   21.6458  N     
34   C        13.9241   65.7544   29.7233  C     
35   C        14.5403   64.6684   30.3581  C     
36   C        14.6101   66.4768   28.7261  C     
37   C        13.9581   67.5623   28.0950  C     
38   C        15.9458   66.1107   28.3598  C     
39   C        16.5610   66.8581   27.3157  C     
40   C        15.8935   67.9194   26.6798  C     
41   C        14.5988   68.2810   27.0730  C     
42   H        16.2685   63.5070   30.5059  H     
43   H        18.1685   62.3279   27.9511  H     
44   H        18.3265   64.5263   26.0661  H     
45   H        19.8993   63.5656   24.7306  H     
46   H        20.4495   62.9892   26.2673  H     
47   H        18.9840   62.0420   23.0639  H     
48   H        18.9222   59.8022   22.1968  H     
49   H        19.4964   57.9430   23.5781  H     
50   H        20.1263   60.5752   26.8310  H     
51   H        20.5034   55.9676   26.3355  H     
52   H        19.5555   56.4517   25.0452  H     
53   H        21.3050   57.3319   27.7798  H     
54   H        14.7930   62.0116   24.6608  H     
55   H        15.5562   62.1530   23.0897  H     
56   H        13.4463   63.2880   22.9506  H     
57   H        13.7020   64.0827   24.5137  H     
58   H        16.5186   65.8388   22.1337  H     
59   H        16.2458   64.1642   21.7583  H     
60   H        17.9666   64.3802   23.4653  H     
61   H        16.9272   65.4051   24.4545  H     
62   H        13.6916   68.0748   22.5903  H     
63   H        15.2128   67.5286   22.0276  H     
64   H        13.9360   68.3500   20.1275  H     
65   H        14.1933   66.6251   19.9456  H     
66   H        12.0212   66.4293   19.7309  H     
67   H         9.2238   67.9410   20.8633  H     
68   H        10.5607   69.3879   21.9714  H     
69   H        12.2302   69.2655   21.9043  H     
70   H        12.9685   66.0079   29.9918  H     
71   H        14.0358   64.1453   31.0789  H     
72   H        13.0121   67.8390   28.3695  H     
73   H        17.4941   66.6413   26.9849  H     
74   H        16.3582   68.4350   25.9262  H     
75   H        14.1204   69.0596   26.6161  H     
76   H        21.2155   58.9964   27.6451  H     
77   H         9.8711   66.6933   19.9393  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1   35 1
     3    2    3 1
     4    2   38 1
     5    3    4 2
     6    3    5 2
     7    3    6 1
     8    6    7 1
     9    7    8 1
    10    7   10 1
    11    8    9 2
    12    8   24 am
    13   10   11 1
    14   11   12 1
    15   11   16 2
    16   12   13 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 1
    22   17   19 2
    23   20   21 1
    24   20   24 1
    25   21   25 1
    26   22   23 1
    27   22   25 1
    28   23   24 1
    29   25   26 am
    30   26   27 2
    31   26   28 1
    32   28   29 1
    33   29   30 1
    34   30   31 1
    35   31   32 2
    36   31   33 1
    37   34   35 2
    38   34   36 1
    39   36   37 1
    40   36   38 2
    41   37   41 2
    42   38   39 1
    43   39   40 2
    44   40   41 1
    45    1   42 1
    46    6   43 1
    47    7   44 1
    48   10   45 1
    49   10   46 1
    50   12   47 1
    51   13   48 1
    52   14   49 1
    53   16   50 1
    54   18   51 1
    55   18   52 1
    56   19   53 1
    57   20   54 1
    58   20   55 1
    59   21   56 1
    60   21   57 1
    61   22   58 1
    62   22   59 1
    63   23   60 1
    64   23   61 1
    65   28   62 1
    66   28   63 1
    67   29   64 1
    68   29   65 1
    69   30   66 1
    70   32   67 1
    71   33   68 1
    72   33   69 1
    73   34   70 1
    74   35   71 1
    75   37   72 1
    76   39   73 1
    77   40   74 1
    78   41   75 1
    79   19   76 1
    80   32   77 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8271
  Crash		| -2.1789
  Polar		| 8.3070
  FragIndex	| 1
  FragRMSD	| 1.186