@<TRIPOS>MOLECULE
BindingDB_91781
 49 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S       -10.5717   45.2894   33.7181  S     
2    O        -9.2554   45.9078   33.0629  O     
3    O       -10.6503   44.5392   35.1242  O     
4    N        -9.4521   44.0219   33.7163  N     
5    C        -9.8240   42.6400   33.8096  C     
6    C        -8.7260   41.6557   33.3032  C     
7    N        -7.4194   41.6237   34.0342  N     
8    C        -6.2356   42.2007   33.3343  C     
9    C        -7.4166   41.7257   35.5201  C     
10   C       -10.2830   46.5576   34.9230  C     
11   C       -11.3760   47.3947   35.2389  C     
12   C       -11.2936   48.3342   36.2821  C     
13   C       -10.1175   48.4659   37.0541  C     
14   N       -10.1702   49.3310   38.1022  N     
15   C        -9.3146   49.4697   39.1210  C     
16   C        -9.2956   50.5533   39.9277  C     
17   C        -8.5652   50.6789   41.0944  C     
18   C        -8.8096   51.9625   41.5877  C     
19   N        -9.6589   52.5628   40.7500  N     
20   C        -9.9631   51.7282   39.7816  C     
21   O       -10.6968   52.0581   38.8565  O     
22   C        -8.2189   52.4257   42.7714  C     
23   C        -7.3716   51.5575   43.4896  C     
24   C        -7.1295   50.2491   43.0182  C     
25   C        -7.7193   49.8054   41.8145  C     
26   C        -8.9926   47.6809   36.6990  C     
27   C        -9.0686   46.7531   35.6458  C     
28   H        -8.5246   44.2488   33.8943  H     
29   H       -10.7336   42.4560   33.2346  H     
30   H       -10.0503   42.4061   34.8506  H     
31   H        -8.5494   41.8588   32.2430  H     
32   H        -9.1401   40.6391   33.3583  H     
33   H        -5.3124   42.0057   33.8884  H     
34   H        -6.3510   43.2749   33.2004  H     
35   H        -6.1290   41.7372   32.3437  H     
36   H        -8.2413   41.1391   35.9447  H     
37   H        -6.4763   41.3240   35.9151  H     
38   H        -7.5224   42.7714   35.8315  H     
39   H       -12.2649   47.2980   34.7376  H     
40   H       -12.1211   48.8932   36.5071  H     
41   H       -10.9729   49.8669   38.1516  H     
42   H        -8.7088   48.7151   39.3440  H     
43   H        -9.9972   53.4712   40.8388  H     
44   H        -8.3876   53.3750   43.0993  H     
45   H        -6.9392   51.8720   44.3620  H     
46   H        -6.5259   49.6198   43.5538  H     
47   H        -7.5398   48.8555   41.4809  H     
48   H        -8.1150   47.7646   37.2095  H     
49   H        -8.2495   46.1875   35.4248  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    3 2
     3    1    4 1
     4    4    5 1
     5    5    6 1
     6    6    7 1
     7    7    8 1
     8    7    9 1
     9    1   10 1
    10   10   11 ar
    11   11   12 ar
    12   12   13 ar
    13   13   14 1
    14   14   15 1
    15   15   16 2
    16   16   17 1
    17   17   18 ar
    18   18   19 1
    19   19   20 1
    20   16   20 1
    21   20   21 2
    22   18   22 ar
    23   22   23 ar
    24   23   24 ar
    25   24   25 ar
    26   17   25 ar
    27   13   26 ar
    28   26   27 ar
    29   10   27 ar
    30    4   28 1
    31    5   29 1
    32    5   30 1
    33    6   31 1
    34    6   32 1
    35    8   33 1
    36    8   34 1
    37    8   35 1
    38    9   36 1
    39    9   37 1
    40    9   38 1
    41   11   39 1
    42   12   40 1
    43   14   41 1
    44   15   42 1
    45   19   43 1
    46   22   44 1
    47   23   45 1
    48   24   46 1
    49   25   47 1
    50   26   48 1
    51   27   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.0000
  Crash		| -1.1320
  Polar		| 3.2998
  FragIndex	| 1
  FragRMSD	| 0.843