@<TRIPOS>MOLECULE
BindingDB_50076287
 104 108 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.5236    2.5185   29.3589  C     
2    C        14.5746    0.6635   32.6252  C     
3    C        16.3259    7.1998   25.8392  C     
4    N        15.1620    6.5759   26.1600  N     
5    C        15.8762    1.9149   30.4225  C     
6    N        15.9104    2.7337   28.1922  N     
7    C        15.9111    0.3264   32.3074  C     
8    C        13.8635    1.5815   31.8193  C     
9    C        16.5423    3.1445   26.9699  C     
10   O        13.9852   -0.0187   33.6676  O     
11   C        15.1946    5.3870   27.0010  C     
12   C        15.5910    4.1016   26.1907  C     
13   C        14.5095    2.1655   30.7023  C     
14   C        16.5625    0.9886   31.2471  C     
15   N        18.0697    9.5765   22.5945  N     
16   C        16.5316    8.2217   24.7992  C     
17   O        17.3723    6.7994   26.3537  O     
18   O        17.7247    2.7623   29.4601  O     
19   C        16.9619    1.8940   26.1274  C     
20   C        13.8616    6.9315   25.5891  C     
21   C        17.6569    9.2576   25.1066  C     
22   C        16.7993    7.5256   23.4254  C     
23   C        17.0055    8.5686   22.2927  C     
24   C        17.8610   10.2437   23.9213  C     
25   C        14.5803    0.0904   34.9845  C     
26   O        12.5367    1.8328   32.0582  O     
27   O        16.5880   -0.6265   33.0059  O     
28   O        14.4172    3.3708   25.8061  O     
29   C        13.5094    9.3141   26.4696  C     
30   C        13.0337    7.9046   26.4744  C     
31   C        14.3656   12.0257   26.5098  C     
32   C        17.9769    1.0184   26.7849  C     
33   C        14.4249    9.7727   27.4467  C     
34   C        13.0330   10.2354   25.5077  C     
35   C        14.8531   11.1083   27.4647  C     
36   C        13.4618   11.5801   25.5236  C     
37   C        14.9619    1.4698   35.4078  C     
38   O        14.8115   13.3148   26.5206  O     
39   C        19.4546    9.0611   22.3868  C     
40   C        12.2989    2.6474   33.2114  C     
41   C        16.1928   -1.9654   32.6585  C     
42   C        17.7694   -0.3792   26.8881  C     
43   C        19.1749    1.5666   27.2987  C     
44   C        14.1381    2.2298   36.2721  C     
45   C        16.1713    2.0465   34.9523  C     
46   C        13.8466   14.2486   27.0459  C     
47   C        20.1306    0.7456   27.9262  C     
48   C        14.4769    3.5502   36.6240  C     
49   C        16.5148    3.3718   35.2984  C     
50   C        18.7315   -1.2016   27.5067  C     
51   C        15.6563    4.1283   36.1190  C     
52   C        19.9099   -0.6416   28.0187  C     
53   H        14.9805    2.4475   28.1373  H     
54   H        17.4546    3.7270   27.1639  H     
55   H        15.8660    5.5510   27.8429  H     
56   H        14.2238    5.2116   27.4760  H     
57   H        16.0988    4.3865   25.2616  H     
58   H        13.9803    2.8205   30.1173  H     
59   H        17.5426    0.7602   31.0591  H     
60   H        17.9596   10.3145   21.8933  H     
61   H        15.6314    8.8205   24.6823  H     
62   H        16.0630    1.3199   25.8880  H     
63   H        17.3843    2.2333   25.1790  H     
64   H        13.9380    7.3138   24.5685  H     
65   H        13.2614    6.0212   25.4727  H     
66   H        17.3946    9.8305   25.9972  H     
67   H        18.6063    8.7496   25.3009  H     
68   H        17.6881    6.8896   23.4896  H     
69   H        15.9538    6.8845   23.1560  H     
70   H        16.0653    9.1012   22.1336  H     
71   H        17.2302    8.0450   21.3616  H     
72   H        18.6981   10.9151   24.1472  H     
73   H        16.9723   10.8790   23.8429  H     
74   H        13.9166   -0.3737   35.7150  H     
75   H        15.5088   -0.4984   34.9659  H     
76   H        13.7571    4.0403   25.5406  H     
77   H        11.9976    7.9006   26.1136  H     
78   H        13.0021    7.5141   27.4907  H     
79   H        14.7822    9.1292   28.1643  H     
80   H        12.3712    9.9408   24.7864  H     
81   H        15.5100   11.4222   28.1850  H     
82   H        13.1100   12.2289   24.8204  H     
83   H        20.1848    9.8648   22.5219  H     
84   H        19.5722    8.6854   21.3686  H     
85   H        19.6953    8.2542   23.0798  H     
86   H        12.6911    2.2019   34.1176  H     
87   H        11.2222    2.7611   33.3331  H     
88   H        12.7235    3.6471   33.0762  H     
89   H        15.1478   -2.1529   32.9143  H     
90   H        16.8050   -2.6552   33.2374  H     
91   H        16.3532   -2.1705   31.5956  H     
92   H        16.9252   -0.8098   26.5111  H     
93   H        19.3594    2.5702   27.2264  H     
94   H        13.2748    1.8410   36.6484  H     
95   H        16.7971    1.5226   34.3373  H     
96   H        12.9450   14.2805   26.4268  H     
97   H        14.3014   15.2342   27.0369  H     
98   H        13.5732   14.0047   28.0754  H     
99   H        20.9832    1.1543   28.3119  H     
100  H        13.8615    4.0931   37.2361  H     
101  H        17.3844    3.7857   34.9464  H     
102  H        18.5777   -2.2107   27.5605  H     
103  H        15.8957    5.0994   36.3557  H     
104  H        20.6205   -1.2440   28.4464  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 am
     3    1   18 2
     4    2    7 2
     5    2    8 1
     6    2   10 1
     7    3    4 am
     8    3   16 1
     9    3   17 2
    10    4   11 1
    11    4   20 1
    12    5   13 1
    13    5   14 2
    14    6    9 1
    15    7   14 1
    16    7   27 1
    17    8   13 2
    18    8   26 1
    19    9   12 1
    20    9   19 1
    21   10   25 1
    22   11   12 1
    23   12   28 1
    24   15   23 1
    25   15   24 1
    26   15   39 1
    27   16   21 1
    28   16   22 1
    29   19   32 1
    30   20   30 1
    31   21   24 1
    32   22   23 1
    33   25   37 1
    34   26   40 1
    35   27   41 1
    36   29   30 1
    37   29   33 1
    38   29   34 2
    39   31   35 1
    40   31   36 2
    41   31   38 1
    42   32   42 2
    43   32   43 1
    44   33   35 2
    45   34   36 1
    46   37   44 1
    47   37   45 2
    48   38   46 1
    49   42   50 1
    50   43   47 2
    51   44   48 2
    52   45   49 1
    53   47   52 1
    54   48   51 1
    55   49   51 2
    56   50   52 2
    57    6   53 1
    58    9   54 1
    59   11   55 1
    60   11   56 1
    61   12   57 1
    62   13   58 1
    63   14   59 1
    64   15   60 1
    65   16   61 1
    66   19   62 1
    67   19   63 1
    68   20   64 1
    69   20   65 1
    70   21   66 1
    71   21   67 1
    72   22   68 1
    73   22   69 1
    74   23   70 1
    75   23   71 1
    76   24   72 1
    77   24   73 1
    78   25   74 1
    79   25   75 1
    80   28   76 1
    81   30   77 1
    82   30   78 1
    83   33   79 1
    84   34   80 1
    85   35   81 1
    86   36   82 1
    87   39   83 1
    88   39   84 1
    89   39   85 1
    90   40   86 1
    91   40   87 1
    92   40   88 1
    93   41   89 1
    94   41   90 1
    95   41   91 1
    96   42   92 1
    97   43   93 1
    98   44   94 1
    99   45   95 1
   100   46   96 1
   101   46   97 1
   102   46   98 1
   103   47   99 1
   104   48  100 1
   105   49  101 1
   106   50  102 1
   107   51  103 1
   108   52  104 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 11.2569
  Crash		| -2.2964
  Polar		| 6.2857
  FragIndex	| 1
  FragRMSD	| 0.314