@<TRIPOS>MOLECULE
BindingDB_11454
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        21.4966   26.5755   27.7316  C     
2    C        22.5589   27.4747   27.9069  C     
3    C        22.8300   28.0655   29.1699  C     
4    C        21.9524   27.7676   30.2348  C     
5    C        20.9001   26.8491   30.0733  C     
6    C        20.6751   26.2314   28.8214  C     
7    N        23.8630   28.9223   29.4025  N     
8    C        24.9434   29.1551   28.6349  C     
9    C        25.6699   28.1431   28.0899  C     
10   C        26.6570   28.4112   27.1322  C     
11   C        26.3488   30.7067   27.5389  C     
12   C        25.5939   32.5298   28.3063  C     
13   N        26.9828   29.7099   26.8703  N     
14   N        25.3558   30.4229   28.4143  N     
15   N        24.8922   31.5415   28.8909  N     
16   N        26.5058   32.0305   27.4553  N     
17   S        19.4005   25.0635   28.6068  S     
18   O        18.4728   24.9051   29.8907  O     
19   O        18.4803   25.5460   27.4026  O     
20   N        27.3022   27.4765   26.3926  N     
21   C        27.2847   26.0354   26.5013  C     
22   C        28.3539   25.4497   25.5213  C     
23   C        27.9450   25.5918   24.0310  C     
24   C        26.5270   25.0262   23.7233  C     
25   C        25.4642   25.5399   24.7392  C     
26   C        25.9176   25.3318   26.2124  C     
27   N        26.5419   23.5523   23.6647  N     
28   C        20.0876   23.4556   28.1763  C     
29   H        21.3459   26.1686   26.8008  H     
30   H        23.1180   27.7108   27.0848  H     
31   H        22.0981   28.1908   31.1584  H     
32   H        20.3059   26.6186   30.8741  H     
33   H        23.8029   29.4340   30.2315  H     
34   H        25.4539   27.2095   28.3167  H     
35   H        25.4433   33.5202   28.4718  H     
36   H        27.8936   27.8384   25.7170  H     
37   H        27.5884   25.7807   27.5226  H     
38   H        29.3079   25.9654   25.6613  H     
39   H        28.5223   24.3956   25.7511  H     
40   H        27.9605   26.6518   23.7628  H     
41   H        28.6852   25.0883   23.3990  H     
42   H        26.2414   25.3693   22.7236  H     
43   H        25.2902   26.6104   24.5648  H     
44   H        24.5174   25.0210   24.5634  H     
45   H        26.0143   24.2602   26.4070  H     
46   H        25.1398   25.6937   26.8863  H     
47   H        27.2359   23.2356   22.9759  H     
48   H        25.6143   23.2151   23.3738  H     
49   H        26.7720   23.1649   24.5799  H     
50   H        20.6262   23.5205   27.2288  H     
51   H        19.2848   22.7206   28.0808  H     
52   H        20.7753   23.1368   28.9614  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   17 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   20 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 2
    22   17   19 2
    23   17   28 1
    24   21   20 1
    25   21   22 1
    26   21   26 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   24   27 1
    31   25   26 1
    32    1   29 1
    33    2   30 1
    34    4   31 1
    35    5   32 1
    36    7   33 1
    37    9   34 1
    38   12   35 1
    39   20   36 1
    40   21   37 1
    41   22   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   27   49 1
    53   28   50 1
    54   28   51 1
    55   28   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9079
  Crash		| -1.6557
  Polar		| 4.0950
  FragIndex	| 1
  FragRMSD	| 0.272