@<TRIPOS>MOLECULE
BindingDB_50243240
 99 99 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        17.9025   33.4694   12.1370  N     
2    C        18.6824   32.2595   12.1614  C     
3    C        19.7697   32.4198   13.1281  C     
4    O        20.6026   33.2856   12.8896  O     
5    C        17.8492   30.9345   12.1775  C     
6    C        18.5209   29.6123   11.9651  C     
7    C        19.9199   29.4207   11.9456  C     
8    C        20.4812   28.1533   11.7228  C     
9    C        19.6452   27.0523   11.4738  C     
10   C        18.2387   27.1946   11.4444  C     
11   C        17.7045   28.4825   11.7170  C     
12   C        10.4524   29.0507    9.5048  C     
13   O        11.6568   29.9651    7.7589  O     
14   C        11.1419   30.1574    8.8544  C     
15   C        11.3583   27.8325    9.8580  C     
16   C        12.4781   27.5655    8.9289  C     
17   O        12.4802   26.4723    8.1322  O     
18   C        11.8051   32.5392    8.8279  C     
19   O        10.8476   33.8083   10.5061  O     
20   C        11.0900   32.9968    7.5250  C     
21   C        11.8316   33.6255    9.8010  C     
22   C        13.0322   35.6576   10.5993  C     
23   O        15.2027   36.4199   10.3468  O     
24   C        14.4293   35.7520   11.0338  C     
25   C        11.9996   35.8839   11.7519  C     
26   C        11.9278   34.8487   12.7938  C     
27   O        12.6348   33.7131   12.6476  O     
28   C        16.1942   35.1028   12.6605  C     
29   O        16.0972   32.8896   13.3181  O     
30   C        16.7344   33.7406   12.7102  C     
31   C        16.1672   35.7402   14.0856  C     
32   C        14.7633   36.1693   14.5906  C     
33   C        13.8935   35.0573   15.0212  C     
34   O        14.2685   33.7778   14.7707  O     
35   N        19.9388   31.6351   14.1896  N     
36   C        21.1041   31.5869   15.0414  C     
37   C        22.1732   30.8907   14.3386  C     
38   C        20.7541   30.9414   16.4237  C     
39   C        21.7341   31.1609   17.6278  C     
40   C        22.4551   29.8701   18.1016  C     
41   C        22.7478   32.3201   17.4092  C     
42   N        22.0784   29.6161   14.0317  N     
43   O        23.1927   31.4798   14.0096  O     
44   C        17.3385   26.0437   11.0975  C     
45   P        17.0860   25.0057   12.3774  P     
46   F        16.1182   26.5144   10.6676  F     
47   F        17.8159   25.2910   10.0476  F     
48   O        16.7250   23.6906   11.9149  O     
49   O        18.3567   24.8582   13.2377  O     
50   O        15.9321   25.4881   13.2792  O     
51   N         9.3110   28.6165    8.6807  N     
52   O        13.5170   28.4313    8.8439  O     
53   N        11.1819   31.3693    9.3996  N     
54   N        12.8878   34.4309    9.8570  N     
55   O        10.8074   34.7690   13.5505  O     
56   N        14.8720   35.0757   12.0976  N     
57   O        12.8664   35.2751   15.8818  O     
58   H        18.3138   34.2044   11.6556  H     
59   H        19.1620   32.2555   11.1777  H     
60   H        17.2993   30.8668   13.1164  H     
61   H        17.1041   31.0295   11.3781  H     
62   H        20.5618   30.1962   12.0923  H     
63   H        21.4961   28.0353   11.7331  H     
64   H        20.0851   26.1454   11.2997  H     
65   H        16.6891   28.6025   11.6995  H     
66   H        10.0249   29.4068   10.4459  H     
67   H        11.7648   27.9701   10.8604  H     
68   H        10.7251   26.9385    9.8975  H     
69   H        12.8358   32.2761    8.5581  H     
70   H        10.0318   33.1757    7.7097  H     
71   H        11.1797   32.2335    6.7515  H     
72   H        11.5471   33.9162    7.1461  H     
73   H        12.8421   36.4616    9.8771  H     
74   H        12.2039   36.8473   12.2352  H     
75   H        10.9906   35.9580   11.3309  H     
76   H        16.8613   35.7255   12.0383  H     
77   H        16.6178   35.0547   14.8153  H     
78   H        16.7882   36.6436   14.0667  H     
79   H        14.8869   36.8314   15.4549  H     
80   H        14.2550   36.7549   13.8134  H     
81   H        19.2446   30.9947   14.3864  H     
82   H        21.4026   32.6200   15.2471  H     
83   H        19.7829   31.3448   16.7220  H     
84   H        20.6058   29.8714   16.2881  H     
85   H        21.1090   31.4700   18.4690  H     
86   H        21.7280   29.0760   18.2875  H     
87   H        22.9953   30.0614   19.0313  H     
88   H        23.1686   29.5242   17.3549  H     
89   H        23.4842   32.0582   16.6499  H     
90   H        23.2806   32.5381   18.3367  H     
91   H        22.2272   33.2234   17.0962  H     
92   H        22.8032   29.1697   13.5709  H     
93   H        21.2902   29.1150   14.2939  H     
94   H         8.6957   29.4099    8.4947  H     
95   H         8.7853   27.8935    9.1730  H     
96   H         9.6511   28.2378    7.7944  H     
97   H        10.7731   31.4686   10.2779  H     
98   H        13.5997   34.2291    9.2366  H     
99   H        14.2190   34.5367   12.5823  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   30 am
     3    2    3 1
     4    2    5 1
     5    3    4 2
     6    3   35 am
     7    5    6 1
     8    6    7 2
     9    6   11 1
    10    7    8 1
    11    8    9 2
    12    9   10 1
    13   10   11 2
    14   10   44 1
    15   12   14 1
    16   12   15 1
    17   12   51 1
    18   13   14 2
    19   14   53 am
    20   15   16 1
    21   16   17 2
    22   16   52 1
    23   18   20 1
    24   18   21 1
    25   18   53 1
    26   19   21 2
    27   21   54 am
    28   22   24 1
    29   22   25 1
    30   22   54 1
    31   23   24 2
    32   24   56 am
    33   25   26 1
    34   26   27 2
    35   26   55 1
    36   28   30 1
    37   28   31 1
    38   28   56 1
    39   29   30 2
    40   31   32 1
    41   32   33 1
    42   33   34 2
    43   33   57 1
    44   35   36 1
    45   36   37 1
    46   36   38 1
    47   37   42 am
    48   37   43 2
    49   38   39 1
    50   39   40 1
    51   39   41 1
    52   44   45 1
    53   44   46 1
    54   44   47 1
    55   45   48 2
    56   45   49 1
    57   45   50 1
    58    1   58 1
    59    2   59 1
    60    5   60 1
    61    5   61 1
    62    7   62 1
    63    8   63 1
    64    9   64 1
    65   11   65 1
    66   12   66 1
    67   15   67 1
    68   15   68 1
    69   18   69 1
    70   20   70 1
    71   20   71 1
    72   20   72 1
    73   22   73 1
    74   25   74 1
    75   25   75 1
    76   28   76 1
    77   31   77 1
    78   31   78 1
    79   32   79 1
    80   32   80 1
    81   35   81 1
    82   36   82 1
    83   38   83 1
    84   38   84 1
    85   39   85 1
    86   40   86 1
    87   40   87 1
    88   40   88 1
    89   41   89 1
    90   41   90 1
    91   41   91 1
    92   42   92 1
    93   42   93 1
    94   51   94 1
    95   51   95 1
    96   51   96 1
    97   53   97 1
    98   54   98 1
    99   56   99 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2002
  Crash		| -3.7662
  Polar		| 7.9275
  FragIndex	| 1
  FragRMSD	| 0.979