@<TRIPOS>MOLECULE
BindingDB_50200936
 58 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.1911    9.4686   13.4594  C     
2    C        -0.5062    9.4441   12.2296  C     
3    C        -0.3800    8.2189   11.5463  C     
4    C        -1.7850    8.2947   13.9611  C     
5    C        -1.7188    7.0615   13.2704  C     
6    C        -0.9602    7.0290   12.0604  C     
7    C        -0.7741    5.7840   11.2660  C     
8    C        -1.1967    4.4787   11.9829  C     
9    C        -2.3209    5.8047   13.8502  C     
10   C        -2.5254    4.6850   12.7567  C     
11   C        -4.2038    4.6525   15.2720  C     
12   C        -3.6313    5.9831   14.7022  C     
13   C        -4.4010    3.5643   14.1672  C     
14   C        -3.0313    3.3783   13.4388  C     
15   C        -3.2128    2.0751   12.6309  C     
16   C        -4.1341    1.1988   13.5237  C     
17   C        -4.5913    2.1066   14.6993  C     
18   O        -5.9245    1.7957   15.1043  O     
19   C        -5.6232    3.9655   13.2570  C     
20   O         0.0126   10.6326   11.8002  O     
21   S        -6.4082    1.4600   16.6915  S     
22   N        -7.0227    2.8914   17.3243  N     
23   O        -7.6862    0.3526   16.6124  O     
24   O        -5.1548    0.8966   17.6791  O     
25   S         1.0367   11.0594   10.5229  S     
26   N         2.6270   10.8001   11.0143  N     
27   O         0.7535   10.0690    9.1725  O     
28   O         0.8758   12.6944   10.1165  O     
29   O        -1.3077   10.6400   14.1724  O     
30   C        -0.2218   10.8516   15.0898  C     
31   H         0.1586    8.2008   10.6660  H     
32   H        -2.2603    8.3620   14.8586  H     
33   H        -1.3579    5.8826   10.3424  H     
34   H         0.2793    5.6781   10.9764  H     
35   H        -1.3127    3.6886   11.2335  H     
36   H        -0.4059    4.1699   12.6754  H     
37   H        -1.5609    5.4470   14.5512  H     
38   H        -3.2724    5.0194   12.0332  H     
39   H        -3.5156    4.2791   16.0335  H     
40   H        -5.1527    4.8510   15.7754  H     
41   H        -3.4376    6.6195   15.5618  H     
42   H        -4.3831    6.4867   14.0931  H     
43   H        -2.2649    3.1388   14.1899  H     
44   H        -3.6864    2.2792   11.6691  H     
45   H        -2.2559    1.5753   12.4522  H     
46   H        -4.9966    0.8525   12.9452  H     
47   H        -3.6012    0.3218   13.9044  H     
48   H        -3.9019    1.9381   15.5419  H     
49   H        -6.5292    4.0566   13.8620  H     
50   H        -5.8226    3.2253   12.4813  H     
51   H        -5.4723    4.9204   12.7600  H     
52   H        -6.6976    3.2245   18.1815  H     
53   H        -7.6250    3.4348   16.7872  H     
54   H         3.3139   11.4190   10.7201  H     
55   H         2.7948   10.2343   11.7869  H     
56   H        -0.2256   10.1014   15.8808  H     
57   H        -0.3554   11.8292   15.5421  H     
58   H         0.7451   10.8425   14.5843  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   29 1
     4    2    3 1
     5    2   20 1
     6    3    6 2
     7    4    5 2
     8    5    6 1
     9    5    9 1
    10    6    7 1
    11    7    8 1
    12    8   10 1
    13    9   10 1
    14    9   12 1
    15   10   14 1
    16   11   12 1
    17   11   13 1
    18   13   14 1
    19   13   17 1
    20   13   19 1
    21   14   15 1
    22   15   16 1
    23   16   17 1
    24   17   18 1
    25   18   21 1
    26   20   25 1
    27   21   22 am
    28   21   23 2
    29   21   24 2
    30   25   26 am
    31   25   27 2
    32   25   28 2
    33   29   30 1
    34    3   31 1
    35    4   32 1
    36    7   33 1
    37    7   34 1
    38    8   35 1
    39    8   36 1
    40    9   37 1
    41   10   38 1
    42   11   39 1
    43   11   40 1
    44   12   41 1
    45   12   42 1
    46   14   43 1
    47   15   44 1
    48   15   45 1
    49   16   46 1
    50   16   47 1
    51   17   48 1
    52   19   49 1
    53   19   50 1
    54   19   51 1
    55   22   52 1
    56   22   53 1
    57   26   54 1
    58   26   55 1
    59   30   56 1
    60   30   57 1
    61   30   58 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.4909
  Crash		| -0.5342
  Polar		| 1.1566
  FragIndex	| 1
  FragRMSD	| 1.000