@<TRIPOS>MOLECULE
BindingDB_11455
 59 63 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        20.9245   26.7757   30.1117  C     
2    C        21.9880   27.6938   30.2501  C     
3    C        22.7686   28.0777   29.1372  C     
4    C        22.3810   27.5871   27.8667  C     
5    C        21.3143   26.6871   27.7213  C     
6    C        20.5899   26.2518   28.8468  C     
7    N        23.8410   28.9001   29.3416  N     
8    C        24.8577   29.1557   28.4967  C     
9    C        25.4352   28.1746   27.7670  C     
10   C        26.3790   28.4403   26.7887  C     
11   C        26.3933   30.6752   27.5349  C     
12   C        25.8743   32.4576   28.5603  C     
13   N        26.8811   29.7084   26.7115  N     
14   N        25.3948   30.3926   28.4047  N     
15   N        25.0728   31.4849   29.0307  N     
16   N        26.7030   31.9738   27.6229  N     
17   S        19.3537   25.0406   28.6265  S     
18   O        18.4293   24.8359   29.9056  O     
19   O        18.4424   25.5195   27.4133  O     
20   N        26.7973   27.5167   25.8842  N     
21   C        26.3590   26.1704   25.5598  C     
22   C        24.9442   25.5914   25.9489  C     
23   C        24.6845   24.2453   25.2205  C     
24   C        25.7923   23.2059   25.5559  C     
25   C        27.2181   23.7612   25.2728  C     
26   C        27.4647   25.1454   25.9409  C     
27   N        25.5619   21.9761   24.7838  N     
28   C        20.1614   23.5494   28.2168  C     
29   C        21.5911   21.2004   27.5547  C     
30   C        21.6103   21.6906   28.8748  C     
31   C        20.8999   22.8610   29.2054  C     
32   C        20.1455   23.0507   26.8937  C     
33   C        20.8589   21.8821   26.5640  C     
34   H        20.4081   26.4816   30.9445  H     
35   H        22.2228   28.0432   31.1836  H     
36   H        22.8665   27.8895   27.0234  H     
37   H        21.0827   26.3411   26.7872  H     
38   H        23.8807   29.3454   30.2029  H     
39   H        25.2254   27.2456   27.9447  H     
40   H        25.8420   33.4324   28.8586  H     
41   H        27.4873   27.8500   25.2882  H     
42   H        26.3458   26.2117   24.4657  H     
43   H        24.8134   25.3744   27.0268  H     
44   H        24.1745   26.3059   25.6447  H     
45   H        23.7097   23.8527   25.5261  H     
46   H        24.6485   24.4147   24.1396  H     
47   H        25.7214   22.9453   26.6162  H     
48   H        27.9658   23.0496   25.6363  H     
49   H        27.3579   23.8633   24.1921  H     
50   H        28.4442   25.5129   25.6192  H     
51   H        27.4945   25.0359   27.0284  H     
52   H        24.6391   21.5963   25.0116  H     
53   H        26.2800   21.2844   25.0120  H     
54   H        25.5995   22.1866   23.7835  H     
55   H        22.1112   20.3529   27.3133  H     
56   H        22.1454   21.1978   29.5940  H     
57   H        20.9365   23.2138   30.1662  H     
58   H        19.6268   23.5372   26.1582  H     
59   H        20.8507   21.5312   25.6025  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3    7 1
     6    4    5 1
     7    5    6 2
     8    6   17 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   20 1
    15   11   13 1
    16   11   14 1
    17   11   16 2
    18   12   15 2
    19   12   16 1
    20   14   15 1
    21   17   18 2
    22   17   19 2
    23   17   28 1
    24   21   20 1
    25   21   22 1
    26   21   26 1
    27   22   23 1
    28   23   24 1
    29   24   25 1
    30   24   27 1
    31   25   26 1
    32   28   31 2
    33   28   32 1
    34   29   30 2
    35   29   33 1
    36   30   31 1
    37   32   33 2
    38    1   34 1
    39    2   35 1
    40    4   36 1
    41    5   37 1
    42    7   38 1
    43    9   39 1
    44   12   40 1
    45   20   41 1
    46   21   42 1
    47   22   43 1
    48   22   44 1
    49   23   45 1
    50   23   46 1
    51   24   47 1
    52   25   48 1
    53   25   49 1
    54   26   50 1
    55   26   51 1
    56   27   52 1
    57   27   53 1
    58   27   54 1
    59   29   55 1
    60   30   56 1
    61   31   57 1
    62   32   58 1
    63   33   59 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9931
  Crash		| -1.1170
  Polar		| 4.1104
  FragIndex	| 1
  FragRMSD	| 0.271