@<TRIPOS>MOLECULE
BindingDB_11452
 51 54 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.4722  -11.6052    8.1156  C     
2    C         9.5085  -11.2174    8.9845  C     
3    C         9.7040  -11.8602   10.2328  C     
4    C         8.8564  -12.9502   10.5348  C     
5    C         7.8478  -13.3726    9.6530  C     
6    C         7.6304  -12.6841    8.4439  C     
7    N        10.6174  -11.5449   11.1991  N     
8    C        11.6388  -10.6706   11.2722  C     
9    C        12.2133  -10.1069   10.1898  C     
10   C        13.2481   -9.1782   10.2988  C     
11   C        13.2062   -9.4897   12.6183  C     
12   C        12.7018  -10.2534   14.5389  C     
13   N        13.7470   -8.8716   11.5349  N     
14   N        12.1785  -10.3659   12.4771  N     
15   N        11.8679  -10.8243   13.6504  N     
16   N        13.5477   -9.4170   13.9143  N     
17   N         5.1014  -13.9342    8.0926  N     
18   S         6.3685  -13.1344    7.3412  S     
19   O         5.8189  -11.8612    6.5627  O     
20   O         7.0381  -14.1264    6.2915  O     
21   N        13.6666   -8.6622    9.1206  N     
22   C        14.6305   -7.6554    8.8309  C     
23   C        13.9716   -6.2532    8.8280  C     
24   C        12.8944   -6.1185    7.7186  C     
25   C        13.4339   -6.4454    6.2973  C     
26   C        14.2163   -7.7878    6.2567  C     
27   C        15.2350   -7.9485    7.4243  C     
28   N        14.2498   -5.3348    5.7770  N     
29   H         8.3461  -11.1093    7.2258  H     
30   H        10.1059  -10.4646    8.6517  H     
31   H         8.9778  -13.4542   11.4187  H     
32   H         7.2608  -14.1726    9.9141  H     
33   H        10.4587  -12.0302   12.0272  H     
34   H        11.9446  -10.3747    9.2887  H     
35   H        12.6820  -10.4216   15.5492  H     
36   H         4.7263  -14.7251    7.6814  H     
37   H         4.8440  -13.6786    8.9909  H     
38   H        13.2031   -9.0125    8.3423  H     
39   H        15.4373   -7.6835    9.5631  H     
40   H        13.5162   -6.0600    9.8041  H     
41   H        14.7510   -5.4947    8.6739  H     
42   H        12.0639   -6.7857    7.9473  H     
43   H        12.5086   -5.0972    7.7374  H     
44   H        12.5813   -6.5310    5.6108  H     
45   H        13.5064   -8.6161    6.2888  H     
46   H        14.7515   -7.8739    5.3061  H     
47   H        16.0764   -7.2759    7.2558  H     
48   H        15.6254   -8.9695    7.3930  H     
49   H        13.6349   -4.5691    5.4700  H     
50   H        14.8137   -5.6554    4.9808  H     
51   H        14.8729   -4.9916    6.5131  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   18 1
     9    7    8 1
    10    8    9 2
    11    8   14 1
    12    9   10 1
    13   10   13 2
    14   10   21 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 am
    22   18   19 2
    23   18   20 2
    24   22   21 1
    25   22   23 1
    26   22   27 1
    27   23   24 1
    28   24   25 1
    29   25   26 1
    30   25   28 1
    31   26   27 1
    32    1   29 1
    33    2   30 1
    34    4   31 1
    35    5   32 1
    36    7   33 1
    37    9   34 1
    38   12   35 1
    39   17   36 1
    40   17   37 1
    41   21   38 1
    42   22   39 1
    43   23   40 1
    44   23   41 1
    45   24   42 1
    46   24   43 1
    47   25   44 1
    48   26   45 1
    49   26   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
    53   28   50 1
    54   28   51 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0101
  Crash		| -2.2445
  Polar		| 5.5410
  FragIndex	| 1
  FragRMSD	| 1.362