@<TRIPOS>MOLECULE
BindingDB_50189677
 57 61 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        15.8631   17.2670   78.5737  C     
2    C        17.1729   17.1088   78.0502  C     
3    C        18.2805   16.9297   78.9092  C     
4    C        18.1295   16.9526   80.3229  C     
5    C        16.8046   17.0625   80.8322  C     
6    C        15.6931   17.2035   79.9735  C     
7    C        14.6876   17.4932   77.6803  C     
8    C        19.2869   16.7897   81.2650  C     
9    C        14.0247   18.9078   77.7455  C     
10   N        12.9306   18.9695   78.6654  N     
11   C        14.9842   19.9967   78.0359  C     
12   N        15.9206   20.4302   77.1649  N     
13   N        15.1430   20.6285   79.2158  N     
14   C        16.1815   21.4596   79.1062  C     
15   C        16.6646   21.3399   77.8070  C     
16   C        17.7733   22.0803   77.3707  C     
17   C        18.3972   22.9566   78.2873  C     
18   C        17.9141   23.0715   79.6120  C     
19   C        16.7976   22.3198   80.0344  C     
20   S        19.7621   15.0615   81.5355  S     
21   N        21.3853   15.4408   81.6785  N     
22   C        21.6966   16.6615   81.3214  C     
23   C        20.6184   17.5313   80.9200  C     
24   O        19.6613   14.0799   80.2819  O     
25   O        19.3109   14.5490   82.9756  O     
26   O        22.8697   17.0008   81.2828  O     
27   S        11.4968   19.7880   78.3175  S     
28   C        11.6638   21.1821   77.2761  C     
29   O        10.4183   18.7590   77.7548  O     
30   O        10.8715   20.2687   79.6985  O     
31   C        11.8324   22.4713   77.8252  C     
32   C        12.0079   23.5892   76.9857  C     
33   C        12.0271   23.4262   75.5846  C     
34   C        11.8612   22.1411   75.0308  C     
35   C        11.6772   21.0284   75.8670  C     
36   F        12.2041   24.4567   74.8014  F     
37   H        17.3403   17.1249   77.0387  H     
38   H        19.2082   16.8058   78.4931  H     
39   H        16.6383   17.0344   81.8476  H     
40   H        14.7560   17.2879   80.3840  H     
41   H        14.9884   17.3224   76.6421  H     
42   H        13.9388   16.7366   77.9139  H     
43   H        18.9648   17.1635   82.2529  H     
44   H        13.6322   19.1150   76.7393  H     
45   H        13.1198   18.7843   79.6048  H     
46   H        14.6367   20.4737   80.0287  H     
47   H        18.1204   21.9839   76.4139  H     
48   H        19.2048   23.5093   77.9858  H     
49   H        18.3794   23.7099   80.2661  H     
50   H        16.4493   22.3942   80.9901  H     
51   H        22.0429   14.7895   81.9620  H     
52   H        20.7238   17.7491   79.8483  H     
53   H        20.6771   18.4703   81.4857  H     
54   H        11.8354   22.6165   78.8381  H     
55   H        12.1344   24.5223   77.3882  H     
56   H        11.8791   22.0108   74.0123  H     
57   H        11.5620   20.1023   75.4508  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1    7 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    4    8 1
     8    5    6 2
     9    7    9 1
    10    8   20 1
    11    8   23 1
    12    9   10 1
    13    9   11 1
    14   10   27 1
    15   11   12 2
    16   11   13 1
    17   12   15 1
    18   13   14 1
    19   14   15 1
    20   14   19 2
    21   15   16 2
    22   16   17 1
    23   17   18 2
    24   18   19 1
    25   20   21 1
    26   20   24 2
    27   20   25 2
    28   21   22 1
    29   22   23 1
    30   22   26 2
    31   27   28 1
    32   27   29 2
    33   27   30 2
    34   28   31 2
    35   28   35 1
    36   31   32 1
    37   32   33 2
    38   33   34 1
    39   33   36 1
    40   34   35 2
    41    2   37 1
    42    3   38 1
    43    5   39 1
    44    6   40 1
    45    7   41 1
    46    7   42 1
    47    8   43 1
    48    9   44 1
    49   10   45 1
    50   13   46 1
    51   16   47 1
    52   17   48 1
    53   18   49 1
    54   19   50 1
    55   21   51 1
    56   23   52 1
    57   23   53 1
    58   31   54 1
    59   32   55 1
    60   34   56 1
    61   35   57 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.6433
  Crash		| -1.2863
  Polar		| 4.0724
  FragIndex	| 1
  FragRMSD	| 0.550