@<TRIPOS>MOLECULE
BindingDB_13807
 60 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        14.2464   35.0269   12.7740  C     
2    C        14.0856   35.7338   11.5595  C     
3    C        12.8039   35.9969   11.0308  C     
4    C        11.6319   35.5947   11.7218  C     
5    C        11.7937   34.8684   12.9297  C     
6    C        13.0747   34.5924   13.4463  C     
7    C        10.2429   35.8668   11.2265  C     
8    C         8.4045   37.4782   11.3127  C     
9    C         9.3902   36.8046   12.1328  C     
10   O        11.0320   37.7739    9.2285  O     
11   S        10.0001   36.6117    9.5951  S     
12   O         9.6670   35.5244    8.4801  O     
13   N         8.5844   37.4026   10.0150  N     
14   O         7.5066   38.1594   11.7864  O     
15   C        15.6048   34.7873   13.3460  C     
16   C        16.4988   33.8146   12.5228  C     
17   C        16.8764   34.3607   11.2192  C     
18   O        16.4865   33.8359   10.1884  O     
19   N        17.7016   35.3800   11.1097  N     
20   N        17.7140   33.5491   13.2454  N     
21   C        18.3204   32.3736   13.3993  C     
22   O        17.7858   31.3262   13.0486  O     
23   C        19.6779   32.3386   13.9538  C     
24   C        20.7154   31.6711   12.9876  C     
25   C        20.7784   30.1831   13.0555  C     
26   C        20.8940   27.3483   13.2143  C     
27   C        21.7740   28.1326   13.9809  C     
28   C        21.7195   29.5378   13.8963  C     
29   C        19.9102   29.3766   12.2809  C     
30   C        19.9584   27.9697   12.3667  C     
31   N        19.6490   31.7182   15.2487  N     
32   C        20.4020   31.0917   17.4208  C     
33   C        20.5706   31.8368   16.1974  C     
34   O        21.5630   32.5404   16.0492  O     
35   H        14.9149   36.0637   11.0446  H     
36   H        12.7480   36.4974   10.1337  H     
37   H        10.9736   34.5232   13.4353  H     
38   H        13.1483   34.0696   14.3226  H     
39   H         9.7312   34.9002   11.1752  H     
40   H         8.8892   36.2206   12.9115  H     
41   H        10.0239   37.5560   12.6081  H     
42   H         8.0067   37.8664    9.3806  H     
43   H        16.1094   35.7498   13.4660  H     
44   H        15.5009   34.3719   14.3514  H     
45   H        15.9317   32.8870   12.3817  H     
46   H        17.9441   35.7256   10.2311  H     
47   H        18.0483   35.8198   11.9045  H     
48   H        18.1929   34.3361   13.5622  H     
49   H        20.0170   33.3739   14.1007  H     
50   H        20.5182   31.9850   11.9571  H     
51   H        21.7053   32.0705   13.2269  H     
52   H        20.9400   26.3284   13.2690  H     
53   H        22.4566   27.6811   14.5949  H     
54   H        22.3666   30.0862   14.4673  H     
55   H        19.2265   29.8103   11.6541  H     
56   H        19.3184   27.3987   11.8094  H     
57   H        18.8856   31.1519   15.4478  H     
58   H        19.4642   31.3783   17.8974  H     
59   H        21.2161   31.2844   18.1252  H     
60   H        20.3745   30.0199   17.2067  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   15 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   11 1
    11    8    9 1
    12    8   13 1
    13    8   14 2
    14   10   11 2
    15   11   12 2
    16   11   13 1
    17   16   15 1
    18   16   17 1
    19   16   20 1
    20   17   18 2
    21   17   19 am
    22   20   21 am
    23   21   22 2
    24   21   23 1
    25   23   24 1
    26   23   31 1
    27   24   25 1
    28   25   28 1
    29   25   29 2
    30   26   27 1
    31   26   30 2
    32   27   28 2
    33   29   30 1
    34   31   33 am
    35   32   33 1
    36   33   34 2
    37    2   35 1
    38    3   36 1
    39    5   37 1
    40    6   38 1
    41    7   39 1
    42    9   40 1
    43    9   41 1
    44   13   42 1
    45   15   43 1
    46   15   44 1
    47   16   45 1
    48   19   46 1
    49   19   47 1
    50   20   48 1
    51   23   49 1
    52   24   50 1
    53   24   51 1
    54   26   52 1
    55   27   53 1
    56   28   54 1
    57   29   55 1
    58   30   56 1
    59   31   57 1
    60   32   58 1
    61   32   59 1
    62   32   60 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 2.6208
  Crash		| -1.0410
  Polar		| 3.5046
  FragIndex	| 1
  FragRMSD	| 0.560