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


@<TRIPOS>ATOM
1    C         8.6716  -10.0471    8.3841  C     
2    C         9.4983   -9.9756    9.5197  C     
3    C         9.5942  -11.0789   10.4087  C     
4    C         8.7416  -12.1866   10.2057  C     
5    C         7.9323  -12.2638    9.0593  C     
6    C         7.9197  -11.2119    8.1214  C     
7    N        10.4882  -11.1822   11.4310  N     
8    C        11.6312  -10.5025   11.6279  C     
9    C        12.3527   -9.9928   10.6014  C     
10   C        13.4807   -9.1925   10.8487  C     
11   C        13.2874   -9.7240   13.1282  C     
12   C        12.5379  -10.4595   14.9645  C     
13   N        13.9493   -9.1000   12.1248  N     
14   N        12.1472  -10.4032   12.8751  N     
15   N        11.6903  -10.8587   14.0017  N     
16   N        13.5467   -9.7483   14.4383  N     
17   S         7.0492  -11.4179    6.6258  S     
18   O         7.6297  -12.7105    5.9076  O     
19   O         5.5305  -11.7562    6.9520  O     
20   N        14.1125   -8.4139    9.9355  N     
21   C        13.6425   -8.0125    8.6367  C     
22   C        14.5914   -8.5398    7.5269  C     
23   C        14.1704   -8.0256    6.1237  C     
24   C        14.0914   -6.4741    6.0840  C     
25   C        13.1424   -5.9391    7.1903  C     
26   C        13.5551   -6.4601    8.5931  C     
27   N        13.6469   -6.0160    4.7600  N     
28   C         7.2055  -10.0521    5.5507  C     
29   C         7.5108   -7.8010    3.8718  C     
30   C         8.2397   -8.9743    3.6146  C     
31   C         8.0874  -10.0982    4.4497  C     
32   C         6.5020   -8.8616    5.8197  C     
33   C         6.6441   -7.7417    4.9797  C     
34   H         8.6627   -9.2583    7.7333  H     
35   H        10.0703   -9.1280    9.6626  H     
36   H         8.7730  -12.9897   10.8391  H     
37   H         7.3887  -13.1132    8.8938  H     
38   H        10.2929  -11.8806   12.0771  H     
39   H        12.0903  -10.2248    9.6701  H     
40   H        12.4158  -10.6497   15.9571  H     
41   H        14.9207   -7.9728   10.2432  H     
42   H        12.6394   -8.3966    8.4334  H     
43   H        15.6159   -8.2166    7.7307  H     
44   H        14.5759   -9.6337    7.5274  H     
45   H        14.8966   -8.3760    5.3863  H     
46   H        13.1969   -8.4512    5.8620  H     
47   H        15.0927   -6.0641    6.2474  H     
48   H        13.1673   -4.8458    7.1946  H     
49   H        12.1145   -6.2500    6.9786  H     
50   H        12.8203   -6.1165    9.3276  H     
51   H        14.5233   -6.0262    8.8616  H     
52   H        14.3503   -6.2825    4.0698  H     
53   H        13.5447   -4.9990    4.7621  H     
54   H        12.7518   -6.4482    4.5247  H     
55   H         7.6217   -6.9862    3.2650  H     
56   H         8.8790   -9.0132    2.8163  H     
57   H         8.6290  -10.9427    4.2510  H     
58   H         5.8957   -8.7995    6.6380  H     
59   H         6.1260   -6.8846    5.1791  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	| 9.7867
  Crash		| -1.2658
  Polar		| 5.3076
  FragIndex	| 1
  FragRMSD	| 0.379