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


@<TRIPOS>ATOM
1    C       -27.4320  -11.8998   55.4793  C     
2    C       -28.6776  -11.5711   54.9117  C     
3    C       -28.9698  -11.9558   53.5927  C     
4    C       -28.0128  -12.6566   52.8384  C     
5    C       -26.7666  -12.9832   53.4052  C     
6    C       -26.4614  -12.6164   54.7378  C     
7    C       -25.1527  -12.9287   55.3724  C     
8    O       -24.2529  -13.7258   54.5865  O     
9    C       -24.0633  -15.0797   54.5626  C     
10   O       -24.8126  -15.8320   55.4064  O     
11   N       -23.1480  -15.6324   53.7017  N     
12   C       -22.9718  -17.0833   53.5618  C     
13   C       -22.9174  -17.5703   52.0731  C     
14   C       -23.9648  -16.9205   51.1070  C     
15   C       -23.5045  -17.0253   49.6247  C     
16   C       -25.3928  -17.5102   51.2816  C     
17   C       -21.8008  -17.5698   54.3026  C     
18   O       -20.8511  -16.8206   54.4951  O     
19   N       -21.6919  -18.8491   54.6692  N     
20   C       -22.3429  -14.7080   52.9195  C     
21   C       -20.5871  -19.4274   55.3911  C     
22   C       -20.3961  -18.8583   56.6950  C     
23   C       -20.7636  -20.9318   55.7157  C     
24   C       -20.1688  -19.8222   57.7254  C     
25   O       -20.1779  -17.6629   56.8632  O     
26   N       -20.4066  -21.0869   57.0942  N     
27   C       -20.3107  -22.2609   57.7400  C     
28   O       -20.0602  -22.2508   58.9372  O     
29   C       -20.4400  -23.6145   57.1525  C     
30   C       -21.8553  -24.1690   57.5653  C     
31   C       -22.9604  -26.5126   57.7609  C     
32   C       -22.3461  -25.4524   56.8040  C     
33   C       -23.3374  -25.1262   55.6571  C     
34   N       -19.2410  -24.4320   57.4549  N     
35   C       -19.3392  -25.7942   57.9607  C     
36   C       -17.9824  -23.9455   57.1916  C     
37   O       -17.7816  -22.7901   56.5079  O     
38   O       -16.8785  -24.5801   57.6861  O     
39   C       -15.4905  -24.2321   57.6577  C     
40   C       -14.6757  -25.1195   58.5314  C     
41   C       -15.2351  -26.1774   59.2948  C     
42   C       -14.4263  -27.0005   60.0990  C     
43   C       -13.0385  -26.7683   60.1697  C     
44   C       -12.4663  -25.7186   59.4290  C     
45   C       -13.2784  -24.8973   58.6233  C     
46   H       -27.2383  -11.6117   56.4428  H     
47   H       -29.3690  -11.0561   55.4609  H     
48   H       -29.8757  -11.7240   53.1795  H     
49   H       -28.2198  -12.9238   51.8742  H     
50   H       -26.0873  -13.4860   52.8295  H     
51   H       -24.6399  -11.9839   55.5684  H     
52   H       -25.3150  -13.4095   56.3398  H     
53   H       -23.8288  -17.6022   53.9959  H     
54   H       -21.9174  -17.3777   51.6777  H     
55   H       -23.0556  -18.6552   52.0497  H     
56   H       -24.0280  -15.8510   51.3332  H     
57   H       -22.5191  -16.5708   49.4941  H     
58   H       -24.2057  -16.4963   48.9735  H     
59   H       -23.4512  -18.0697   49.3048  H     
60   H       -25.4028  -18.5792   51.0499  H     
61   H       -26.0963  -17.0085   50.6129  H     
62   H       -25.7495  -17.3709   52.3038  H     
63   H       -22.3933  -19.4600   54.3893  H     
64   H       -22.9860  -14.0903   52.2909  H     
65   H       -21.6282  -15.1938   52.2546  H     
66   H       -21.7732  -14.0511   53.5821  H     
67   H       -19.6655  -19.2979   54.8151  H     
68   H       -21.7940  -21.2537   55.5957  H     
69   H       -20.1257  -21.5165   55.0564  H     
70   H       -19.1366  -19.7338   58.0802  H     
71   H       -20.8580  -19.6517   58.5556  H     
72   H       -20.4696  -23.5448   56.0654  H     
73   H       -21.8459  -24.3458   58.6441  H     
74   H       -22.6082  -23.3896   57.4135  H     
75   H       -22.2407  -26.7901   58.5363  H     
76   H       -23.2041  -27.4157   57.2009  H     
77   H       -23.8670  -26.1308   58.2358  H     
78   H       -21.4922  -25.9435   56.3501  H     
79   H       -24.2656  -24.7111   56.0584  H     
80   H       -23.5730  -26.0299   55.0900  H     
81   H       -22.8877  -24.4051   54.9724  H     
82   H       -20.1233  -25.8986   58.7163  H     
83   H       -18.4285  -26.1786   58.4311  H     
84   H       -19.5436  -26.4533   57.1123  H     
85   H       -15.1359  -24.3108   56.6259  H     
86   H       -15.3646  -23.1973   57.9906  H     
87   H       -16.2413  -26.3663   59.2770  H     
88   H       -14.8419  -27.7638   60.6392  H     
89   H       -12.4516  -27.3682   60.7544  H     
90   H       -11.4593  -25.5538   59.4743  H     
91   H       -12.8415  -24.1382   58.0923  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	| 9.8101
  Crash		| -3.1916
  Polar		| 2.9228
  FragIndex	| 1
  FragRMSD	| 1.343