@<TRIPOS>MOLECULE
BindingDB_50267368
 55 59 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        31.7155   24.2032   15.0248  C     
2    C        32.9537   23.3307   14.5894  C     
3    C        32.5465   21.8865   14.2037  C     
4    C        31.8621   21.1554   15.3973  C     
5    C        30.8933   22.0407   16.0896  C     
6    O        30.8838   23.3904   15.8911  O     
7    C        35.2117   31.3449   17.3209  C     
8    C        34.7773   32.3445   16.4413  C     
9    C        34.0326   31.9945   15.3057  C     
10   C        34.8968   29.9991   17.0678  C     
11   C        34.1213   29.6135   15.9414  C     
12   C        33.7122   30.6411   15.0362  C     
13   C        32.8954   30.3671   13.8205  C     
14   C        32.7053   28.8698   13.4713  C     
15   C        33.8250   28.1626   15.6382  C     
16   C        32.5287   28.0141   14.7553  C     
17   C        33.4092   25.7255   16.5069  C     
18   C        33.7843   27.1932   16.8718  C     
19   C        32.0696   25.5998   15.6935  C     
20   C        32.2455   26.5097   14.4328  C     
21   C        31.0299   26.1470   13.5593  C     
22   C        30.8493   24.6273   13.7837  C     
23   C        30.8833   26.0349   16.6439  C     
24   O        30.0630   21.5463   17.0354  O     
25   C        31.2150   19.8256   14.9319  C     
26   H        33.4899   23.7944   13.7565  H     
27   H        33.6526   23.2329   15.4243  H     
28   H        31.8757   21.9128   13.3438  H     
29   H        33.4395   21.3339   13.9039  H     
30   H        32.6354   20.9058   16.1320  H     
31   H        35.7666   31.5930   18.1437  H     
32   H        35.0040   33.3220   16.6250  H     
33   H        33.7226   32.7363   14.6776  H     
34   H        35.2614   29.3059   17.7230  H     
35   H        31.9085   30.8171   13.9742  H     
36   H        33.3531   30.8594   12.9572  H     
37   H        31.8298   28.7766   12.8254  H     
38   H        33.5743   28.5177   12.9077  H     
39   H        34.6730   27.8228   15.0322  H     
40   H        31.6732   28.4214   15.2991  H     
41   H        34.2482   25.3391   15.9220  H     
42   H        33.3484   25.1253   17.4187  H     
43   H        34.7755   27.1450   17.3341  H     
44   H        33.0970   27.5814   17.6246  H     
45   H        33.1244   26.1670   13.8684  H     
46   H        30.1439   26.7021   13.8864  H     
47   H        31.2059   26.3751   12.5049  H     
48   H        31.1456   24.0998   12.8737  H     
49   H        29.7873   24.4136   13.9496  H     
50   H        29.9134   25.9165   16.1621  H     
51   H        30.9518   27.0684   16.9700  H     
52   H        30.8770   25.4143   17.5412  H     
53   H        30.3991   20.0114   14.2312  H     
54   H        30.8215   19.2719   15.7882  H     
55   H        31.9599   19.1936   14.4393  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 1
     3    1   19 1
     4    1   22 1
     5    2    3 1
     6    3    4 1
     7    4    5 1
     8    4   25 1
     9    5    6 1
    10    5   24 2
    11    7    8 2
    12    7   10 1
    13    8    9 1
    14    9   12 2
    15   10   11 2
    16   11   12 1
    17   11   15 1
    18   12   13 1
    19   13   14 1
    20   14   16 1
    21   15   16 1
    22   15   18 1
    23   16   20 1
    24   17   18 1
    25   17   19 1
    26   19   20 1
    27   19   23 1
    28   20   21 1
    29   21   22 1
    30    2   26 1
    31    2   27 1
    32    3   28 1
    33    3   29 1
    34    4   30 1
    35    7   31 1
    36    8   32 1
    37    9   33 1
    38   10   34 1
    39   13   35 1
    40   13   36 1
    41   14   37 1
    42   14   38 1
    43   15   39 1
    44   16   40 1
    45   17   41 1
    46   17   42 1
    47   18   43 1
    48   18   44 1
    49   20   45 1
    50   21   46 1
    51   21   47 1
    52   22   48 1
    53   22   49 1
    54   23   50 1
    55   23   51 1
    56   23   52 1
    57   25   53 1
    58   25   54 1
    59   25   55 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.4221
  Crash		| -0.2916
  Polar		| 1.0225
  FragIndex	| 1
  FragRMSD	| 0.429