@<TRIPOS>MOLECULE
BindingDB_50031456
 71 71 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    S        -6.0304    1.1382   16.9145  S     
2    C         3.5599    7.7354   13.1261  C     
3    C         4.1791    7.9416   11.8107  C     
4    C         3.5599    8.9091   14.0076  C     
5    C         4.3657    6.8872   10.8006  C     
6    C        -4.7678    6.0028   13.5949  C     
7    C        -5.6477    2.5467   15.9669  C     
8    N         4.1768    6.5838   13.8094  N     
9    O        -5.8544   -0.1411   15.9890  O     
10   O        -5.0309    1.0202   18.1449  O     
11   C        -5.0446    4.8531   14.3662  C     
12   O         4.5168    9.0763   11.4862  O     
13   N        -7.5950    1.0516   17.5114  N     
14   O         4.4891    9.0825   14.7914  O     
15   O        -5.7054    6.6854   13.1910  O     
16   C         5.5272    5.8768   11.1159  C     
17   C        -6.6540    3.4697   15.6356  C     
18   C        -4.3355    2.7775   15.5099  C     
19   C        -6.3585    4.5942   14.8387  C     
20   C        -4.0399    3.9161   14.7272  C     
21   N         2.5813    9.8136   13.9442  N     
22   N        -3.5291    6.3987   13.2937  N     
23   N         3.1133    6.1503   10.5516  N     
24   O        -2.6481    8.3840   14.8867  O     
25   O         0.3213    9.9512   15.5494  O     
26   C         6.3689    5.4344    9.8670  C     
27   C        -3.1417    7.6102   12.6337  C     
28   C         2.4250   10.9813   14.7714  C     
29   C         0.9563   11.2036   15.2065  C     
30   C        -2.1883    8.4550   13.5198  C     
31   C        -1.0605   10.0366   15.9573  C     
32   C        -1.6994    8.6230   15.9548  C     
33   C         7.6718    6.2740    9.7489  C     
34   C         6.6953    3.9177    9.8829  C     
35   H         2.5154    7.4580   12.9662  H     
36   H         4.5870    7.3666    9.8408  H     
37   H         4.0125    5.7344   13.2729  H     
38   H         3.7594    6.4700   14.7335  H     
39   H         5.1816    6.7327   13.9101  H     
40   H        -7.8955    0.2343   17.9357  H     
41   H        -8.2060    1.7955   17.4052  H     
42   H         6.2091    6.3079   11.8558  H     
43   H         5.0944    4.9894   11.5869  H     
44   H        -7.6085    3.3348   15.9681  H     
45   H        -3.5845    2.1240   15.7379  H     
46   H        -7.1313    5.2255   14.6203  H     
47   H        -3.0718    4.0385   14.4122  H     
48   H         1.8857    9.6672   13.2852  H     
49   H        -2.8012    5.8255   13.5752  H     
50   H         2.8458    5.6322   11.3937  H     
51   H         3.2559    5.4893    9.7818  H     
52   H         2.3617    6.8000   10.2980  H     
53   H         5.7717    5.6122    8.9671  H     
54   H        -2.6252    7.3470   11.7092  H     
55   H        -3.9998    8.2317   12.3602  H     
56   H         3.0462   10.9272   15.6744  H     
57   H         2.7586   11.8494   14.1941  H     
58   H         0.4007   11.6606   14.3799  H     
59   H         0.9438   11.9030   16.0536  H     
60   H        -2.2170    9.4991   13.1868  H     
61   H        -1.1605    8.0833   13.4149  H     
62   H        -1.1139   10.4681   16.9691  H     
63   H        -1.6386   10.6803   15.2832  H     
64   H        -2.2681    8.5105   16.8848  H     
65   H        -0.9183    7.8499   15.9537  H     
66   H         7.4397    7.3398    9.7210  H     
67   H         8.2084    6.0228    8.8328  H     
68   H         8.3267    6.0837   10.6006  H     
69   H         7.2308    3.6506   10.7926  H     
70   H         7.3118    3.6503    9.0213  H     
71   H         5.7763    3.3339    9.8286  H     
@<TRIPOS>BOND
     1    1    7 1
     2    1    9 2
     3    1   10 2
     4    1   13 am
     5    2    3 1
     6    2    4 1
     7    2    8 1
     8    3    5 1
     9    3   12 2
    10    4   14 2
    11    4   21 am
    12    5   16 1
    13    5   23 1
    14    6   11 1
    15    6   15 2
    16    6   22 am
    17    7   17 2
    18    7   18 1
    19   11   19 2
    20   11   20 1
    21   16   26 1
    22   17   19 1
    23   18   20 2
    24   21   28 1
    25   22   27 1
    26   24   30 1
    27   24   32 1
    28   25   29 1
    29   25   31 1
    30   26   33 1
    31   26   34 1
    32   27   30 1
    33   28   29 1
    34   31   32 1
    35    2   35 1
    36    5   36 1
    37    8   37 1
    38    8   38 1
    39    8   39 1
    40   13   40 1
    41   13   41 1
    42   16   42 1
    43   16   43 1
    44   17   44 1
    45   18   45 1
    46   19   46 1
    47   20   47 1
    48   21   48 1
    49   22   49 1
    50   23   50 1
    51   23   51 1
    52   23   52 1
    53   26   53 1
    54   27   54 1
    55   27   55 1
    56   28   56 1
    57   28   57 1
    58   29   58 1
    59   29   59 1
    60   30   60 1
    61   30   61 1
    62   31   62 1
    63   31   63 1
    64   32   64 1
    65   32   65 1
    66   33   66 1
    67   33   67 1
    68   33   68 1
    69   34   69 1
    70   34   70 1
    71   34   71 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.1251
  Crash		| -2.4531
  Polar		| 2.7280
  FragIndex	| 1
  FragRMSD	| 1.191