@<TRIPOS>MOLECULE
BindingDB_11450
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         8.3461   -9.7156    8.9881  C     
2    C         9.4207   -9.7300    9.9199  C     
3    C         9.8031  -10.9477   10.5580  C     
4    C         9.0923  -12.1151   10.2672  C     
5    C         8.0564  -12.1160    9.3176  C     
6    C         7.6863  -10.9202    8.6689  C     
7    N        10.8369  -11.0306   11.4443  N     
8    C        11.8332  -10.1831   11.6941  C     
9    C        12.4073   -9.4501   10.7168  C     
10   C        13.4340   -8.5117   11.0232  C     
11   C        13.3474   -9.2422   13.2555  C     
12   C        12.7575  -10.2500   15.0290  C     
13   N        13.8814   -8.4416   12.3067  N     
14   N        12.3493  -10.1045   12.9507  N     
15   N        11.9835  -10.7182   14.0303  N     
16   N        13.6151   -9.3291   14.5609  N     
17   N         4.9751  -11.4446    8.2119  N     
18   S         6.4038  -10.9364    7.4940  S     
19   O         6.1613   -9.4956    6.8714  O     
20   O         6.7468  -11.9660    6.3256  O     
21   N        13.9708   -7.6662   10.1160  N     
22   C        13.7149   -7.6114    8.7065  C     
23   C        14.3312   -6.3179    8.1073  C     
24   C        14.1450   -6.2410    6.5667  C     
25   C        14.6766   -7.5128    5.8540  C     
26   C        14.0713   -8.8035    6.4621  C     
27   C        14.3087   -8.8654    7.9917  C     
28   O        14.3986   -7.4514    4.4559  O     
29   H         8.0823   -8.8298    8.5661  H     
30   H         9.8745   -8.8518   10.1333  H     
31   H         9.3452  -13.0018   10.7297  H     
32   H         7.5750  -12.9969    9.1021  H     
33   H        10.8404  -11.8574   11.9788  H     
34   H        12.1141   -9.5504    9.7931  H     
35   H        12.6795  -10.5305   16.0036  H     
36   H         4.1538  -10.9518    8.0532  H     
37   H         5.0271  -12.0258    8.9844  H     
38   H        14.5986   -7.0059   10.4613  H     
39   H        12.6333   -7.5667    8.5346  H     
40   H        13.8543   -5.4418    8.5664  H     
41   H        15.3986   -6.2739    8.3385  H     
42   H        13.0807   -6.1129    6.3428  H     
43   H        14.6738   -5.3600    6.1860  H     
44   H        15.7625   -7.5481    5.9666  H     
45   H        12.9997   -8.8396    6.2554  H     
46   H        14.5324   -9.6773    5.9981  H     
47   H        15.3820   -8.9122    8.1867  H     
48   H        13.8640   -9.7818    8.3789  H     
49   H        13.4192   -7.4382    4.3845  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
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.8320
  Crash		| -1.7379
  Polar		| 3.3225
  FragIndex	| 1
  FragRMSD	| 1.040