@<TRIPOS>MOLECULE
BindingDB_19809
 91 93 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -15.7849  -26.5767   59.2801  C     
2    C       -15.0685  -27.3211   60.2345  C     
3    C       -13.8382  -26.8379   60.7145  C     
4    C       -13.3221  -25.6343   60.2121  C     
5    C       -14.0435  -24.8850   59.2638  C     
6    C       -15.3103  -25.3310   58.8019  C     
7    C       -16.1003  -24.4930   57.8544  C     
8    O       -17.4870  -24.8352   57.8977  O     
9    C       -18.6178  -24.2899   57.3432  C     
10   O       -18.4717  -23.1948   56.5528  O     
11   N       -19.8392  -24.8438   57.6550  N     
12   C       -21.0959  -24.1079   57.3726  C     
13   C       -22.4764  -24.6428   57.9259  C     
14   C       -23.0288  -25.9297   57.2091  C     
15   C       -23.9207  -26.7786   58.1514  C     
16   C       -23.8194  -25.5818   55.9148  C     
17   C       -20.9964  -22.7162   57.8238  C     
18   O       -20.5233  -22.4715   58.9311  O     
19   N       -21.3944  -21.7393   57.0155  N     
20   C       -19.7844  -26.1960   58.2071  C     
21   C       -21.3490  -20.3328   57.2678  C     
22   C       -20.0623  -19.7931   56.9305  C     
23   C       -22.2959  -19.5597   56.3191  C     
24   C       -20.0911  -18.8250   55.8724  C     
25   O       -19.0550  -20.0336   57.5706  O     
26   N       -21.4735  -18.6861   55.5327  N     
27   C       -21.9111  -17.8343   54.5890  C     
28   O       -21.0796  -17.2058   53.9398  O     
29   C       -23.3149  -17.6095   54.2011  C     
30   C       -23.6142  -18.1649   52.7538  C     
31   C       -26.2445  -17.8772   53.0201  C     
32   C       -25.0562  -18.7183   52.4679  C     
33   C       -25.2490  -18.9463   50.9431  C     
34   N       -23.6628  -16.2013   54.4745  N     
35   C       -23.5367  -15.1964   53.4258  C     
36   C       -23.9516  -15.7931   55.7510  C     
37   O       -23.8319  -16.6295   56.8160  O     
38   O       -24.4163  -14.5369   56.0038  O     
39   C       -24.7512  -13.9613   57.2670  C     
40   C       -25.4127  -12.6586   57.0475  C     
41   C       -26.7165  -12.6087   56.5061  C     
42   C       -27.3881  -11.3903   56.3369  C     
43   C       -26.7546  -10.1814   56.6983  C     
44   C       -25.4446  -10.2114   57.2105  C     
45   C       -24.7752  -11.4284   57.3818  C     
46   H       -16.6692  -26.9653   58.9487  H     
47   H       -15.4496  -28.2026   60.5853  H     
48   H       -13.3252  -27.3681   61.4213  H     
49   H       -12.4165  -25.3013   60.5496  H     
50   H       -13.6490  -24.0033   58.9226  H     
51   H       -16.0009  -23.4375   58.1259  H     
52   H       -15.7275  -24.6373   56.8407  H     
53   H       -21.1874  -24.1180   56.2772  H     
54   H       -22.3896  -24.7964   59.0074  H     
55   H       -23.2566  -23.8633   57.8455  H     
56   H       -22.1991  -26.5672   56.8949  H     
57   H       -23.3465  -27.1248   59.0143  H     
58   H       -24.2978  -27.6542   57.6211  H     
59   H       -24.7693  -26.1927   58.5084  H     
60   H       -24.7214  -25.0162   56.1631  H     
61   H       -24.1079  -26.4929   55.3876  H     
62   H       -23.2044  -24.9824   55.2440  H     
63   H       -21.7923  -22.0096   56.1722  H     
64   H       -19.2804  -26.8360   57.4677  H     
65   H       -20.7325  -26.6825   58.4319  H     
66   H       -19.2099  -26.2105   59.1433  H     
67   H       -21.5788  -20.0923   58.3101  H     
68   H       -22.8517  -20.2310   55.6595  H     
69   H       -23.0154  -18.9904   56.9066  H     
70   H       -19.6866  -17.8750   56.2337  H     
71   H       -19.5029  -19.1872   55.0233  H     
72   H       -23.9433  -18.2321   54.8396  H     
73   H       -23.3558  -17.4117   52.0054  H     
74   H       -22.9423  -19.0107   52.5591  H     
75   H       -26.2096  -17.8257   54.1087  H     
76   H       -27.1938  -18.3470   52.7551  H     
77   H       -26.2446  -16.8666   52.6114  H     
78   H       -25.1261  -19.6975   52.9506  H     
79   H       -25.2713  -17.9916   50.4097  H     
80   H       -26.1886  -19.4688   50.7463  H     
81   H       -24.4352  -19.5543   50.5378  H     
82   H       -22.5474  -15.2559   52.9678  H     
83   H       -23.6588  -14.1670   53.7671  H     
84   H       -24.2833  -15.3547   52.6522  H     
85   H       -25.4391  -14.6178   57.8076  H     
86   H       -23.8391  -13.8633   57.8594  H     
87   H       -27.1929  -13.4778   56.2377  H     
88   H       -28.3380  -11.3720   55.9593  H     
89   H       -27.2399   -9.2952   56.5769  H     
90   H       -24.9819   -9.3327   57.4660  H     
91   H       -23.8225  -11.4280   57.7513  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 1
    10    9   10 2
    11    9   11 am
    12   11   12 1
    13   11   20 1
    14   12   13 1
    15   12   17 1
    16   13   14 1
    17   14   15 1
    18   14   16 1
    19   17   18 2
    20   17   19 am
    21   19   21 1
    22   21   22 1
    23   21   23 1
    24   22   24 1
    25   22   25 2
    26   23   26 1
    27   24   26 1
    28   26   27 am
    29   27   28 2
    30   27   29 1
    31   29   30 1
    32   29   34 1
    33   30   32 1
    34   31   32 1
    35   32   33 1
    36   34   35 1
    37   34   36 am
    38   36   37 2
    39   36   38 1
    40   38   39 1
    41   39   40 1
    42   40   41 2
    43   40   45 1
    44   41   42 1
    45   42   43 2
    46   43   44 1
    47   44   45 2
    48    1   46 1
    49    2   47 1
    50    3   48 1
    51    4   49 1
    52    5   50 1
    53    7   51 1
    54    7   52 1
    55   12   53 1
    56   13   54 1
    57   13   55 1
    58   14   56 1
    59   15   57 1
    60   15   58 1
    61   15   59 1
    62   16   60 1
    63   16   61 1
    64   16   62 1
    65   19   63 1
    66   20   64 1
    67   20   65 1
    68   20   66 1
    69   21   67 1
    70   23   68 1
    71   23   69 1
    72   24   70 1
    73   24   71 1
    74   29   72 1
    75   30   73 1
    76   30   74 1
    77   31   75 1
    78   31   76 1
    79   31   77 1
    80   32   78 1
    81   33   79 1
    82   33   80 1
    83   33   81 1
    84   35   82 1
    85   35   83 1
    86   35   84 1
    87   39   85 1
    88   39   86 1
    89   41   87 1
    90   42   88 1
    91   43   89 1
    92   44   90 1
    93   45   91 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.2402
  Crash		| -2.3596
  Polar		| 2.0949
  FragIndex	| 1
  FragRMSD	| 1.070