@<TRIPOS>MOLECULE
BindingDB_50311930
 78 82 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        47.1232    8.6113   -5.1557  N     
2    C        46.8763    7.6702   -4.2060  C     
3    C        47.0059    8.0349   -2.8493  C     
4    C        47.3870    9.3560   -2.5138  C     
5    N        47.5938   10.2308   -3.5383  N     
6    C        47.4804    9.8783   -4.8422  C     
7    N        47.4908    9.7664   -1.2137  N     
8    N        47.6315    9.7417    1.0102  N     
9    C        47.6922    8.9987   -0.1101  C     
10   C        47.4630   10.9998    0.6333  C     
11   C        47.3850   11.0343   -0.7584  C     
12   C        47.1515   12.2662   -1.3970  C     
13   C        47.1237   13.4450   -0.6328  C     
14   C        47.2567   13.3934    0.7684  C     
15   C        47.3870   12.1554    1.4218  C     
16   N        48.0316    7.6888   -0.0970  N     
17   C        48.1179    6.9475    1.0336  C     
18   C        47.2494    5.8383    1.1151  C     
19   C        47.1825    5.0349    2.2771  C     
20   C        47.9864    5.4035    3.3777  C     
21   C        48.8945    6.4780    3.2782  C     
22   C        48.9961    7.2528    2.1039  C     
23   C        50.0295    8.3239    2.0131  C     
24   N        46.3119    3.9842    2.4548  N     
25   C        44.9835    3.9710    2.3180  C     
26   C        44.2105    2.8163    2.5200  C     
27   O        44.4240    4.9759    1.9119  O     
28   C        43.5322    2.2018    1.4340  C     
29   C        42.6752    1.0863    1.5986  C     
30   C        42.5131    0.5723    2.9050  C     
31   C        43.1947    1.1381    3.9927  C     
32   C        44.0397    2.2472    3.8074  C     
33   C        41.9866    0.5199    0.4043  C     
34   F        41.1847   -0.5602    0.6778  F     
35   F        41.1893    1.4766   -0.1768  F     
36   F        42.9122    0.1066   -0.5236  F     
37   N        46.5007    6.4537   -4.6697  N     
38   C        46.2775    5.2238   -3.9641  C     
39   C        47.4400    4.2056   -4.1993  C     
40   N        48.2342    3.7397   -3.0091  N     
41   C        49.3664    4.6643   -2.6475  C     
42   C        50.6002    4.4225   -3.5471  C     
43   C        47.4039    3.2601   -1.8510  C     
44   C        47.7160    1.8042   -1.4331  C     
45   H        46.7392    7.3852   -2.1143  H     
46   H        47.6525   10.5644   -5.5762  H     
47   H        47.0004   12.3150   -2.4003  H     
48   H        47.0165   14.3421   -1.0929  H     
49   H        47.2542   14.2546    1.3090  H     
50   H        47.4422   12.0939    2.4381  H     
51   H        48.0506    7.2108   -0.9403  H     
52   H        46.6022    5.6703    0.3397  H     
53   H        47.9284    4.8803    4.2574  H     
54   H        49.5079    6.6838    4.0682  H     
55   H        50.6103    8.1971    1.0954  H     
56   H        50.7277    8.2923    2.8571  H     
57   H        49.5669    9.3060    2.0058  H     
58   H        46.7319    3.1312    2.6271  H     
59   H        43.6559    2.5740    0.4888  H     
60   H        41.8940   -0.2178    3.0719  H     
61   H        43.0655    0.7498    4.9268  H     
62   H        44.4966    2.6523    4.6290  H     
63   H        46.3562    6.4066   -5.6282  H     
64   H        46.1175    5.3629   -2.8987  H     
65   H        45.3522    4.8018   -4.3661  H     
66   H        47.0232    3.3269   -4.6968  H     
67   H        48.1430    4.6216   -4.9290  H     
68   H        48.6997    2.8914   -3.3315  H     
69   H        49.0762    5.7197   -2.7077  H     
70   H        49.7074    4.5004   -1.6218  H     
71   H        50.9053    3.3769   -3.4964  H     
72   H        51.4369    5.0340   -3.2060  H     
73   H        50.3809    4.6755   -4.5857  H     
74   H        47.5961    3.8647   -0.9617  H     
75   H        46.3425    3.3459   -2.0794  H     
76   H        47.4762    1.1001   -2.2304  H     
77   H        47.1250    1.5337   -0.5591  H     
78   H        48.7728    1.7080   -1.1780  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   37 1
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   11 1
    11    8    9 2
    12    8   10 1
    13    9   16 1
    14   10   11 2
    15   10   15 1
    16   11   12 1
    17   12   13 2
    18   13   14 1
    19   14   15 2
    20   16   17 1
    21   17   18 2
    22   17   22 1
    23   18   19 1
    24   19   20 2
    25   19   24 1
    26   20   21 1
    27   21   22 2
    28   22   23 1
    29   24   25 am
    30   25   26 1
    31   25   27 2
    32   26   28 2
    33   26   32 1
    34   28   29 1
    35   29   30 2
    36   29   33 1
    37   30   31 1
    38   31   32 2
    39   33   34 1
    40   33   35 1
    41   33   36 1
    42   37   38 1
    43   38   39 1
    44   39   40 1
    45   40   41 1
    46   40   43 1
    47   41   42 1
    48   43   44 1
    49    3   45 1
    50    6   46 1
    51   12   47 1
    52   13   48 1
    53   14   49 1
    54   15   50 1
    55   16   51 1
    56   18   52 1
    57   20   53 1
    58   21   54 1
    59   23   55 1
    60   23   56 1
    61   23   57 1
    62   24   58 1
    63   28   59 1
    64   30   60 1
    65   31   61 1
    66   32   62 1
    67   37   63 1
    68   38   64 1
    69   38   65 1
    70   39   66 1
    71   39   67 1
    72   40   68 1
    73   41   69 1
    74   41   70 1
    75   42   71 1
    76   42   72 1
    77   42   73 1
    78   43   74 1
    79   43   75 1
    80   44   76 1
    81   44   77 1
    82   44   78 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 0.9143
  Crash		| -9.3570
  Polar		| 1.8001
  FragIndex	| 1
  FragRMSD	| 1.415