@<TRIPOS>MOLECULE
BindingDB_13491
 55 58 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        16.8734   -3.2747   -4.4768  C     
2    C        17.3265   -2.0590   -3.9206  C     
3    C        17.2095   -1.8165   -2.5350  C     
4    C        16.6439   -2.7932   -1.6786  C     
5    C        16.2093   -4.0113   -2.2456  C     
6    C        16.3099   -4.2485   -3.6214  C     
7    C        16.4566   -2.5765   -0.2160  C     
8    C        17.1416   -1.5188    1.8015  C     
9    C        17.6891   -2.2158    0.6500  C     
10   N        15.9108   -1.0708    1.6990  N     
11   O        13.8303   -2.1182    0.2574  O     
12   O        17.7513   -1.4064    2.8561  O     
13   C        17.0364   -3.5787   -5.9235  C     
14   C        18.3898   -4.2695   -6.2984  C     
15   C        18.9001   -5.1797   -5.2553  C     
16   C        19.0397   -6.8743   -3.8985  C     
17   C        19.9437   -5.8930   -3.5020  C     
18   C        19.7089   -8.2752   -2.0459  C     
19   C        18.9044   -8.0773   -3.1866  C     
20   C        20.7597   -6.0823   -2.3725  C     
21   C        20.6332   -7.2834   -1.6425  C     
22   N        19.8436   -4.8562   -4.3496  N     
23   N        18.4108   -6.4046   -4.9811  N     
24   N        18.2042   -5.0278   -7.5036  N     
25   S        15.2172   -1.3391    0.1977  S     
26   O        15.3366   -0.0568   -0.7402  O     
27   C        18.5095   -4.6526   -8.7421  C     
28   O        18.9807   -3.5441   -8.9717  O     
29   C        18.2136   -5.5505   -9.8556  C     
30   C        16.9281   -5.1131  -10.6033  C     
31   C        19.4324   -5.6630  -10.8169  C     
32   H        17.7451   -1.3431   -4.5180  H     
33   H        17.5423   -0.9262   -2.1620  H     
34   H        15.7890   -4.7295   -1.6600  H     
35   H        15.9892   -5.1474   -3.9937  H     
36   H        16.0518   -3.4947    0.2287  H     
37   H        18.2069   -3.1385    0.9613  H     
38   H        18.4000   -1.5586    0.1258  H     
39   H        15.4487   -0.6299    2.4321  H     
40   H        16.1962   -4.1988   -6.2800  H     
41   H        16.9716   -2.6378   -6.4872  H     
42   H        19.1424   -3.4795   -6.4473  H     
43   H        19.6120   -9.1350   -1.4998  H     
44   H        18.2248   -8.7810   -3.4771  H     
45   H        21.4245   -5.3656   -2.0863  H     
46   H        21.2013   -7.4331   -0.8056  H     
47   H        17.7423   -6.8727   -5.4974  H     
48   H        17.7100   -5.8629   -7.4128  H     
49   H        18.0263   -6.5630   -9.4723  H     
50   H        16.0819   -5.0764   -9.9131  H     
51   H        16.6871   -5.8348  -11.3853  H     
52   H        17.0507   -4.1273  -11.0593  H     
53   H        19.6562   -4.6990  -11.2743  H     
54   H        19.2181   -6.3813  -11.6056  H     
55   H        20.3147   -6.0044  -10.2753  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   25 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   25 1
    15   11   25 2
    16   14   13 1
    17   14   15 1
    18   14   24 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   27 am
    30   25   26 2
    31   27   28 2
    32   27   29 1
    33   29   30 1
    34   29   31 1
    35    2   32 1
    36    3   33 1
    37    5   34 1
    38    6   35 1
    39    7   36 1
    40    9   37 1
    41    9   38 1
    42   10   39 1
    43   13   40 1
    44   13   41 1
    45   14   42 1
    46   18   43 1
    47   19   44 1
    48   20   45 1
    49   21   46 1
    50   23   47 1
    51   24   48 1
    52   29   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
    56   31   53 1
    57   31   54 1
    58   31   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8216
  Crash		| -2.5242
  Polar		| 5.3282
  FragIndex	| 1
  FragRMSD	| 0.655