@<TRIPOS>MOLECULE
BindingDB_15306
 54 57 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        61.1169    0.9258   10.6158  C     
2    C        60.0600    1.2252   11.5018  C     
3    C        58.8330    0.5191   11.4042  C     
4    C        58.6364   -0.5478   10.4652  C     
5    C        59.7807   -0.9161    9.6993  C     
6    C        60.9778   -0.1899    9.7630  C     
7    C        57.3908   -1.1818   10.2653  C     
8    C        56.2248   -1.0500   11.1797  C     
9    C        54.8774   -1.3193   10.4285  C     
10   C        55.0048   -2.3814    9.4493  C     
11   N        57.2414   -1.9926    9.2651  N     
12   N        56.1878   -2.6317    8.9148  N     
13   C        56.4247   -1.9660   12.4217  C     
14   O        54.0088   -2.9317    9.0068  O     
15   N        62.2725    1.6357   10.5211  N     
16   C        62.6140    2.8821   10.9399  C     
17   C        63.4323    5.4283   11.9480  C     
18   C        64.3044    4.5378   11.1989  C     
19   C        63.9420    3.2355   10.9205  C     
20   C        61.5775    3.8501   11.3507  C     
21   C        62.0158    5.3341   11.3216  C     
22   C        65.0336    2.2466   10.7004  C     
23   C        65.0155    1.4948    9.4152  C     
24   C        64.6472    1.4148    6.9887  C     
25   C        64.9729    0.0410    6.9703  C     
26   C        65.3712   -0.5979    8.1645  C     
27   C        65.3851    0.1189    9.3682  C     
28   C        64.6720    2.1319    8.1951  C     
29   O        65.2923    5.0429   10.6672  O     
30   F        65.7062   -1.8611    8.1415  F     
31   H        60.2054    1.8756   12.2525  H     
32   H        58.0788    0.8137   12.0380  H     
33   H        59.7307   -1.6943    9.0323  H     
34   H        61.7479   -0.4556    9.1418  H     
35   H        56.1339   -0.0229   11.5485  H     
36   H        54.0779   -1.5319   11.1433  H     
37   H        54.6048   -0.4128    9.8757  H     
38   H        56.2547   -3.2961    8.2101  H     
39   H        56.4835   -3.0207   12.1338  H     
40   H        55.5934   -1.8376   13.1172  H     
41   H        57.3436   -1.6974   12.9532  H     
42   H        62.9275    1.1993    9.9600  H     
43   H        63.3970    5.1000   12.9901  H     
44   H        63.7841    6.4659   11.9403  H     
45   H        60.6388    3.6971   10.7944  H     
46   H        61.3049    3.6416   12.3844  H     
47   H        61.3221    5.9507   11.9036  H     
48   H        62.0335    5.7161   10.2919  H     
49   H        66.0282    2.7099   10.7586  H     
50   H        64.9928    1.5462   11.5441  H     
51   H        64.3877    1.8837    6.1141  H     
52   H        64.9475   -0.4807    6.0944  H     
53   H        65.6730   -0.3593   10.2273  H     
54   H        64.4431    3.1262    8.1845  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    8 1
    10    7   11 2
    11    8    9 1
    12    8   13 1
    13    9   10 1
    14   10   12 1
    15   10   14 2
    16   11   12 1
    17   15   16 1
    18   16   19 2
    19   16   20 1
    20   17   18 1
    21   17   21 1
    22   18   19 1
    23   18   29 2
    24   19   22 1
    25   20   21 1
    26   22   23 1
    27   23   27 2
    28   23   28 1
    29   24   25 1
    30   24   28 2
    31   25   26 2
    32   26   27 1
    33   26   30 1
    34    2   31 1
    35    3   32 1
    36    5   33 1
    37    6   34 1
    38    8   35 1
    39    9   36 1
    40    9   37 1
    41   12   38 1
    42   13   39 1
    43   13   40 1
    44   13   41 1
    45   15   42 1
    46   17   43 1
    47   17   44 1
    48   20   45 1
    49   20   46 1
    50   21   47 1
    51   21   48 1
    52   22   49 1
    53   22   50 1
    54   24   51 1
    55   25   52 1
    56   27   53 1
    57   28   54 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.1155
  Crash		| -1.0141
  Polar		| 2.4642
  FragIndex	| 1
  FragRMSD	| 0.597