@<TRIPOS>MOLECULE
BindingDB_19811
 91 93 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -25.9663  -13.5710   55.7544  C     
2    C       -27.1460  -12.8791   56.0837  C     
3    C       -27.2413  -12.1922   57.3066  C     
4    C       -26.1550  -12.1858   58.1994  C     
5    C       -24.9786  -12.8877   57.8726  C     
6    C       -24.8669  -13.5839   56.6456  C     
7    C       -23.6089  -14.2912   56.2800  C     
8    O       -23.7890  -15.5558   55.6210  O     
9    C       -24.6524  -16.5598   55.9330  C     
10   O       -25.5678  -16.3901   56.9081  O     
11   N       -24.6566  -17.7519   55.2907  N     
12   C       -23.8058  -18.1784   54.2166  C     
13   C       -24.0554  -17.4249   52.8623  C     
14   C       -25.3135  -17.8533   52.0349  C     
15   C       -25.2825  -19.3490   51.6219  C     
16   C       -26.6610  -17.5120   52.7328  C     
17   C       -22.3960  -18.1677   54.6067  C     
18   O       -21.8375  -17.0919   54.7966  O     
19   N       -21.7382  -19.3146   54.7557  N     
20   C       -20.3641  -19.4732   55.1381  C     
21   C       -20.2786  -19.6269   56.5888  C     
22   C       -19.7587  -20.6989   54.3946  C     
23   C       -20.1846  -22.0440   55.0558  C     
24   C       -19.7221  -20.8369   57.1817  C     
25   O       -20.6495  -18.7147   57.3143  O     
26   N       -20.1658  -22.0574   56.5161  N     
27   C       -20.4676  -23.1759   57.2120  C     
28   O       -20.3668  -23.1394   58.4337  O     
29   C       -20.7574  -24.5033   56.6418  C     
30   C       -21.8070  -25.3865   57.4333  C     
31   C       -23.0471  -25.8716   56.6102  C     
32   C       -23.4305  -27.3365   56.9656  C     
33   C       -24.2797  -24.9340   56.7701  C     
34   N       -19.5693  -25.3061   56.3006  N     
35   C       -18.2966  -25.0539   56.7617  C     
36   O       -18.0319  -24.0142   57.5996  O     
37   O       -17.2194  -25.7781   56.3410  O     
38   C       -15.8311  -25.5424   56.6163  C     
39   C       -15.4273  -25.9553   57.9819  C     
40   C       -15.3636  -27.3229   58.3216  C     
41   C       -14.9264  -27.7326   59.5967  C     
42   C       -14.5626  -26.7691   60.5553  C     
43   C       -14.6265  -25.4024   60.2372  C     
44   C       -15.0502  -24.9954   58.9589  C     
45   C       -19.7936  -26.4805   55.4649  C     
46   H       -25.9123  -14.0663   54.8637  H     
47   H       -27.9351  -12.8725   55.4327  H     
48   H       -28.1039  -11.6867   57.5472  H     
49   H       -26.2183  -11.6759   59.0795  H     
50   H       -24.2003  -12.8811   58.5375  H     
51   H       -23.0466  -13.6540   55.5956  H     
52   H       -22.9748  -14.4606   57.1594  H     
53   H       -25.3064  -18.3955   55.6060  H     
54   H       -24.0807  -19.2223   54.0285  H     
55   H       -24.1175  -16.3495   53.0519  H     
56   H       -23.1891  -17.5627   52.2068  H     
57   H       -25.2915  -17.2731   51.1073  H     
58   H       -24.3390  -19.5919   51.1220  H     
59   H       -26.0980  -19.5696   50.9282  H     
60   H       -25.3917  -20.0039   52.4893  H     
61   H       -26.8057  -18.1208   53.6286  H     
62   H       -27.4959  -17.7080   52.0544  H     
63   H       -26.6834  -16.4569   53.0099  H     
64   H       -22.2480  -20.1294   54.6120  H     
65   H       -19.7866  -18.5912   54.8567  H     
66   H       -20.0463  -20.6860   53.3356  H     
67   H       -18.6660  -20.6287   54.4340  H     
68   H       -21.2008  -22.2537   54.7096  H     
69   H       -19.5289  -22.8251   54.6556  H     
70   H       -18.6317  -20.7820   57.0872  H     
71   H       -19.9398  -20.8224   58.2549  H     
72   H       -21.2474  -24.2709   55.6977  H     
73   H       -21.2832  -26.2642   57.8376  H     
74   H       -22.1911  -24.8546   58.3073  H     
75   H       -22.7818  -25.8676   55.5490  H     
76   H       -22.5889  -28.0072   56.7818  H     
77   H       -24.2635  -27.6673   56.3500  H     
78   H       -23.7172  -27.4136   58.0169  H     
79   H       -24.6626  -24.9714   57.7919  H     
80   H       -25.0726  -25.2348   56.0858  H     
81   H       -24.0196  -23.8999   56.5417  H     
82   H       -15.2569  -26.1114   55.8871  H     
83   H       -15.6137  -24.4861   56.4397  H     
84   H       -15.6123  -28.0353   57.6335  H     
85   H       -14.8659  -28.7282   59.8234  H     
86   H       -14.2384  -27.0660   61.4804  H     
87   H       -14.3558  -24.7054   60.9345  H     
88   H       -15.0849  -23.9970   58.7414  H     
89   H       -20.4055  -27.2051   56.0046  H     
90   H       -18.8877  -27.0149   55.1605  H     
91   H       -20.3188  -26.1982   54.5483  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   12   13 1
    14   12   17 1
    15   13   14 1
    16   14   15 1
    17   14   16 1
    18   17   18 2
    19   17   19 am
    20   19   20 1
    21   20   21 1
    22   20   22 1
    23   21   24 1
    24   21   25 2
    25   22   23 1
    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   31 1
    34   31   32 1
    35   31   33 1
    36   34   35 am
    37   34   45 1
    38   35   36 2
    39   35   37 1
    40   37   38 1
    41   38   39 1
    42   39   40 2
    43   39   44 1
    44   40   41 1
    45   41   42 2
    46   42   43 1
    47   43   44 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   11   53 1
    56   12   54 1
    57   13   55 1
    58   13   56 1
    59   14   57 1
    60   15   58 1
    61   15   59 1
    62   15   60 1
    63   16   61 1
    64   16   62 1
    65   16   63 1
    66   19   64 1
    67   20   65 1
    68   22   66 1
    69   22   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   32   76 1
    79   32   77 1
    80   32   78 1
    81   33   79 1
    82   33   80 1
    83   33   81 1
    84   38   82 1
    85   38   83 1
    86   40   84 1
    87   41   85 1
    88   42   86 1
    89   43   87 1
    90   44   88 1
    91   45   89 1
    92   45   90 1
    93   45   91 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9626
  Crash		| -2.2837
  Polar		| 3.2368
  FragIndex	| 1
  FragRMSD	| 1.071