@<TRIPOS>MOLECULE
BindingDB_24055
 59 62 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        15.7865   13.6432  109.9702  O     
2    C        19.6861   14.3969  108.0520  C     
3    C        18.4429   15.1443  108.1750  C     
4    C        19.6163   13.3645  108.8975  C     
5    N        17.6261   14.4269  109.1169  N     
6    C        18.5546   13.3034  111.0970  C     
7    C        17.9311   12.3062  111.8825  C     
8    C        19.2770   14.3246  111.7641  C     
9    C        19.4027   14.3261  113.1657  C     
10   C        18.7829   13.3230  113.9302  C     
11   C        18.0388   12.3184  113.2859  C     
12   C        20.7616   14.7350  107.1783  C     
13   C        23.0896   14.5398  106.3649  C     
14   C        22.8333   15.4481  105.3316  C     
15   C        21.5675   16.0370  105.2207  C     
16   C        20.5487   15.6740  106.1240  C     
17   C        22.0803   14.1944  107.2844  C     
18   F        22.4673   13.4008  108.2437  F     
19   F        21.3256   16.9153  104.2865  F     
20   C        16.2930   14.5581  109.3255  C     
21   N        15.4257   15.5011  108.8779  N     
22   C        14.0482   15.0955  108.6102  C     
23   C        18.3793   13.2974  109.6113  C     
24   C        15.7696   16.9184  108.8163  C     
25   C        15.4148   19.2280  109.8626  C     
26   C        14.7308   18.9368  107.4888  C     
27   C        15.5424   17.6082  107.4163  C     
28   C        15.0834   17.7113  109.9742  C     
29   N        15.2503   19.8114  108.5312  N     
30   C        15.5725   21.1073  108.3145  C     
31   C        15.3052   21.8598  107.0896  C     
32   O        16.1078   21.7633  109.2142  O     
33   H        18.7072   16.1359  108.5367  H     
34   H        17.9288   15.2031  107.2143  H     
35   H        20.2910   12.6450  108.9882  H     
36   H        17.3793   11.5674  111.4432  H     
37   H        19.7237   15.0691  111.2307  H     
38   H        19.9381   15.0579  113.6319  H     
39   H        18.8697   13.3202  114.9511  H     
40   H        17.5674   11.6055  113.8475  H     
41   H        24.0245   14.1409  106.4480  H     
42   H        23.5722   15.6939  104.6752  H     
43   H        19.6365   16.1160  105.9918  H     
44   H        14.0638   14.2847  107.8773  H     
45   H        13.4078   15.8754  108.1962  H     
46   H        13.5648   14.7438  109.5255  H     
47   H        17.9014   12.3694  109.2702  H     
48   H        16.8220   17.0730  109.0419  H     
49   H        14.7857   19.7758  110.5726  H     
50   H        16.4578   19.3544  110.1727  H     
51   H        14.7339   19.3766  106.4883  H     
52   H        13.6912   18.7099  107.7277  H     
53   H        16.5192   17.8269  106.9626  H     
54   H        15.0239   16.9599  106.7081  H     
55   H        14.0034   17.5968  109.9297  H     
56   H        15.4229   17.3344  110.9452  H     
57   H        15.8177   21.4104  106.2331  H     
58   H        15.6292   22.9076  107.1469  H     
59   H        14.2259   21.8554  106.9119  H     
@<TRIPOS>BOND
     1    1   20 2
     2    2    3 1
     3    2    4 2
     4    2   12 1
     5    3    5 1
     6    4   23 1
     7    5   20 1
     8    5   23 1
     9    6    7 2
    10    6    8 1
    11   23    6 1
    12    7   11 1
    13    8    9 2
    14    9   10 1
    15   10   11 2
    16   12   16 2
    17   12   17 1
    18   13   14 1
    19   13   17 2
    20   14   15 2
    21   15   16 1
    22   15   19 1
    23   17   18 1
    24   20   21 am
    25   21   22 1
    26   21   24 1
    27   24   27 1
    28   24   28 1
    29   25   28 1
    30   25   29 1
    31   26   27 1
    32   26   29 1
    33   29   30 am
    34   30   31 1
    35   30   32 2
    36    3   33 1
    37    3   34 1
    38    4   35 1
    39    7   36 1
    40    8   37 1
    41    9   38 1
    42   10   39 1
    43   11   40 1
    44   13   41 1
    45   14   42 1
    46   16   43 1
    47   22   44 1
    48   22   45 1
    49   22   46 1
    50   23   47 1
    51   24   48 1
    52   25   49 1
    53   25   50 1
    54   26   51 1
    55   26   52 1
    56   27   53 1
    57   27   54 1
    58   28   55 1
    59   28   56 1
    60   31   57 1
    61   31   58 1
    62   31   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.3518
  Crash		| -1.2678
  Polar		| 0.0000
  FragIndex	| 1
  FragRMSD	| 0.292