@<TRIPOS>MOLECULE
BindingDB_50071549
 80 82 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        13.5281    6.8226   29.3154  C     
2    C        13.3473    5.9509   30.3821  C     
3    C        13.3742    6.9112   26.0419  C     
4    N        12.6489    6.9116   28.3183  N     
5    C        12.7214    7.6716   27.0955  C     
6    N        14.4790    6.1933   26.2824  N     
7    C        14.2654    4.8973   30.6667  C     
8    C        17.0907    6.8849   25.2571  C     
9    C        15.0629    5.1720   25.4929  C     
10   C        16.9106    8.1933   24.6382  C     
11   C        12.2508    6.1443   31.2737  C     
12   C        14.0540    4.0472   31.7704  C     
13   C        16.2419    5.7271   24.6229  C     
14   O        14.5280    7.5234   29.2894  O     
15   O        12.9035    6.9163   24.9006  O     
16   C        15.3163    3.9423   26.4482  C     
17   C        13.1588    9.1099   27.1832  C     
18   O        15.7817    8.5495   24.2980  O     
19   C        12.9618    4.2455   32.6295  C     
20   N        17.9357    9.0277   24.5399  N     
21   C        12.0715    5.3109   32.3887  C     
22   O        15.2925    4.5929   29.8069  O     
23   C        16.5557    3.1440   26.3043  C     
24   O        17.1027    4.6469   24.2773  O     
25   O        12.8102    3.4035   33.7001  O     
26   C        13.4326    9.8441   25.9952  C     
27   C        13.2339    9.8126   28.4186  C     
28   C        17.8743   10.3866   24.1272  C     
29   C        16.6010    4.7256   30.3753  C     
30   C        16.5279    1.8480   25.7206  C     
31   C        17.8035    3.6284   26.7792  C     
32   C        11.7677    2.4345   33.5337  C     
33   C        19.2910   11.0113   24.1129  C     
34   C        20.1554   10.7729   25.3823  C     
35   C        19.3575   10.6739   26.7040  C     
36   C        13.6045   11.1613   28.4545  C     
37   C        13.7617   11.2094   26.0351  C     
38   C        17.6713    1.0368   25.6644  C     
39   C        18.9559    2.8199   26.7146  C     
40   C        13.8854   11.8763   27.2634  C     
41   C        18.8940    1.5237   26.1710  C     
42   H        11.9405    6.2372   28.3557  H     
43   H        11.6735    7.7724   26.8038  H     
44   H        14.8850    6.3178   27.1563  H     
45   H        18.1570    6.6245   25.2365  H     
46   H        16.8432    7.0011   26.3217  H     
47   H        14.3343    4.8062   24.7545  H     
48   H        11.5897    6.9072   31.1060  H     
49   H        14.6920    3.2645   31.9470  H     
50   H        15.8209    6.0818   23.6825  H     
51   H        15.2639    4.2346   27.5055  H     
52   H        14.4534    3.2633   26.3159  H     
53   H        18.7902    8.6831   24.8135  H     
54   H        11.2711    5.4659   33.0111  H     
55   H        16.7032    4.2226   23.4715  H     
56   H        13.3306    9.4049   25.0799  H     
57   H        13.0316    9.3442   29.2991  H     
58   H        17.4347   10.4534   23.1296  H     
59   H        17.2344   10.9567   24.8041  H     
60   H        16.7503    5.7175   30.8048  H     
61   H        17.3411    4.5901   29.5829  H     
62   H        16.7693    3.9653   31.1438  H     
63   H        15.6435    1.4597   25.3748  H     
64   H        17.8563    4.5257   27.2547  H     
65   H        10.8050    2.9384   33.4152  H     
66   H        11.7175    1.8053   34.4283  H     
67   H        11.9651    1.7906   32.6700  H     
68   H        19.8334   10.5972   23.2508  H     
69   H        19.1948   12.0904   23.9506  H     
70   H        20.7397    9.8613   25.2631  H     
71   H        20.8617   11.6055   25.4689  H     
72   H        18.7744   11.5843   26.8645  H     
73   H        20.0511   10.5507   27.5410  H     
74   H        18.6844    9.8122   26.6893  H     
75   H        13.6610   11.6574   29.3509  H     
76   H        13.9429   11.7138   25.1647  H     
77   H        17.6269    0.1037   25.2493  H     
78   H        19.8412    3.1644   27.1174  H     
79   H        14.1398   12.8637   27.2965  H     
80   H        19.7470    0.9537   26.1106  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 am
     3    1   14 2
     4    2    7 2
     5    2   11 1
     6    3    5 1
     7    3    6 am
     8    3   15 2
     9    4    5 1
    10    5   17 1
    11    6    9 1
    12    7   12 1
    13    7   22 1
    14    8   10 1
    15    8   13 1
    16    9   13 1
    17    9   16 1
    18   10   18 2
    19   10   20 am
    20   11   21 2
    21   12   19 2
    22   13   24 1
    23   16   23 1
    24   17   26 1
    25   17   27 2
    26   19   21 1
    27   19   25 1
    28   20   28 1
    29   22   29 1
    30   23   30 2
    31   23   31 1
    32   25   32 1
    33   26   37 2
    34   27   36 1
    35   28   33 1
    36   30   38 1
    37   31   39 2
    38   33   34 1
    39   34   35 1
    40   36   40 2
    41   37   40 1
    42   38   41 2
    43   39   41 1
    44    4   42 1
    45    5   43 1
    46    6   44 1
    47    8   45 1
    48    8   46 1
    49    9   47 1
    50   11   48 1
    51   12   49 1
    52   13   50 1
    53   16   51 1
    54   16   52 1
    55   20   53 1
    56   21   54 1
    57   24   55 1
    58   26   56 1
    59   27   57 1
    60   28   58 1
    61   28   59 1
    62   29   60 1
    63   29   61 1
    64   29   62 1
    65   30   63 1
    66   31   64 1
    67   32   65 1
    68   32   66 1
    69   32   67 1
    70   33   68 1
    71   33   69 1
    72   34   70 1
    73   34   71 1
    74   35   72 1
    75   35   73 1
    76   35   74 1
    77   36   75 1
    78   37   76 1
    79   38   77 1
    80   39   78 1
    81   40   79 1
    82   41   80 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8772
  Crash		| -2.8434
  Polar		| 3.0501
  FragIndex	| 1
  FragRMSD	| 0.930