@<TRIPOS>MOLECULE
BindingDB_50261156
 62 64 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        32.8495  120.0594   13.6395  N     
2    C        32.4336  120.1062   12.3385  C     
3    N        31.2039  120.6296   12.0475  N     
4    C        32.1147  120.5335   14.6442  C     
5    C        30.8668  121.0930   14.3775  C     
6    C        30.4245  121.1093   13.0577  C     
7    C        29.1579  121.6743   13.0820  C     
8    N        28.8952  121.9819   14.3664  N     
9    N        29.8968  121.6559   15.1300  N     
10   C        28.1984  121.8588   11.9739  C     
11   C        28.6471  122.8683   10.8817  C     
12   C        29.9061  121.8691   16.5377  C     
13   O        32.5538  120.4641   15.7837  O     
14   C        33.2768  119.6565   11.2939  C     
15   C        33.9009  118.3793   11.3372  C     
16   C        34.7007  117.9668   10.2467  C     
17   C        34.9438  118.8313    9.1621  C     
18   C        34.3527  120.1100    9.1240  C     
19   C        33.5050  120.5024   10.1790  C     
20   O        33.6084  117.5251   12.3757  O     
21   C        34.6596  116.6772   12.8728  C     
22   C        34.2685  116.1541   14.2708  C     
23   S        34.6312  121.1566    7.7603  S     
24   N        33.4173  121.0247    6.6002  N     
25   O        34.6015  122.6633    8.2691  O     
26   O        36.0635  120.9489    7.0944  O     
27   C        33.0221  119.7557    6.0843  C     
28   C        29.6342  122.2991    9.8329  C     
29   C        31.6362  119.8264    5.4010  C     
30   N        30.5281  120.1093    6.3458  N     
31   C        30.0389  118.9901    7.1852  C     
32   C        29.1266  118.1003    6.4417  C     
33   O        29.2184  116.7549    6.5544  O     
34   O        28.1303  118.6232    5.6886  O     
35   H        33.7175  119.6820   13.8347  H     
36   H        27.9806  120.8863   11.5279  H     
37   H        27.2677  122.2288   12.4048  H     
38   H        27.7524  123.1992   10.3461  H     
39   H        29.0968  123.7505   11.3495  H     
40   H        29.9752  120.9094   17.0569  H     
41   H        28.9934  122.3773   16.8627  H     
42   H        30.7624  122.4898   16.8138  H     
43   H        35.1140  117.0345   10.2280  H     
44   H        35.5390  118.5006    8.3939  H     
45   H        33.0635  121.4256   10.1463  H     
46   H        34.7961  115.8252   12.2045  H     
47   H        35.6077  117.2132   12.9587  H     
48   H        34.1996  116.9865   14.9771  H     
49   H        35.0236  115.4509   14.6310  H     
50   H        33.3032  115.6418   14.2332  H     
51   H        33.1969  121.8223    6.0901  H     
52   H        33.7698  119.4355    5.3490  H     
53   H        32.9896  119.0090    6.8835  H     
54   H        30.5569  121.9602   10.3102  H     
55   H        29.8915  123.0753    9.1079  H     
56   H        29.1744  121.4628    9.2965  H     
57   H        31.6600  120.6282    4.6629  H     
58   H        31.4586  118.8961    4.8634  H     
59   H        30.8288  120.8571    6.9732  H     
60   H        29.7326  120.4620    5.8059  H     
61   H        30.8711  118.4215    7.6032  H     
62   H        29.4792  119.4103    8.0203  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    2    3 2
     4    2   14 1
     5    3    6 1
     6    4    5 1
     7    4   13 2
     8    5    6 2
     9    5    9 1
    10    6    7 1
    11    7    8 2
    12    7   10 1
    13    8    9 1
    14    9   12 1
    15   10   11 1
    16   11   28 1
    17   14   15 2
    18   14   19 1
    19   15   16 1
    20   15   20 1
    21   16   17 2
    22   17   18 1
    23   18   19 2
    24   18   23 1
    25   20   21 1
    26   21   22 1
    27   23   24 1
    28   23   25 2
    29   23   26 2
    30   24   27 1
    31   27   29 1
    32   29   30 1
    33   30   31 1
    34   31   32 1
    35   32   33 1
    36   32   34 2
    37    1   35 1
    38   10   36 1
    39   10   37 1
    40   11   38 1
    41   11   39 1
    42   12   40 1
    43   12   41 1
    44   12   42 1
    45   16   43 1
    46   17   44 1
    47   19   45 1
    48   21   46 1
    49   21   47 1
    50   22   48 1
    51   22   49 1
    52   22   50 1
    53   24   51 1
    54   27   52 1
    55   27   53 1
    56   28   54 1
    57   28   55 1
    58   28   56 1
    59   29   57 1
    60   29   58 1
    61   30   59 1
    62   30   60 1
    63   31   61 1
    64   31   62 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.4809
  Crash		| -1.8631
  Polar		| 2.3207
  FragIndex	| 1
  FragRMSD	| 0.474