@<TRIPOS>MOLECULE
BindingDB_18780
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        28.7083    1.0033   14.7386  C     
2    C        28.8509    1.3594   13.3856  C     
3    C        28.1266    2.4521   12.8547  C     
4    C        27.2964    3.2099   13.7110  C     
5    C        27.1781    2.8721   15.0658  C     
6    C        27.8474    1.7379   15.5806  C     
7    C        28.1855    2.7497   11.4773  C     
8    C        27.3362    2.0667   10.5717  C     
9    C        28.2303    3.2870    8.7544  C     
10   C        29.0729    3.7223   10.9412  C     
11   N        26.4640    1.1137   10.9492  N     
12   N        28.2774    3.5381    7.4389  N     
13   N        27.3931    2.3508    9.2467  N     
14   N        29.0443    3.9531    9.6017  N     
15   C        30.0707    4.4940   11.7289  C     
16   C        29.9392    6.0218   11.5289  C     
17   O        27.6614    1.3303   16.8728  O     
18   C        26.2755    1.1369   17.2141  C     
19   H        29.2056    0.1872   15.1064  H     
20   H        29.4565    0.7950   12.7842  H     
21   H        26.7577    3.9983   13.3479  H     
22   H        26.5770    3.4307   15.6717  H     
23   H        25.9195    0.6683   10.2799  H     
24   H        26.3792    0.8531   11.8797  H     
25   H        28.9191    4.1806    7.0888  H     
26   H        27.6949    3.0613    6.8294  H     
27   H        29.9824    4.2538   12.7909  H     
28   H        31.0840    4.1976   11.4261  H     
29   H        30.0204    6.2772   10.4703  H     
30   H        30.7429    6.5311   12.0739  H     
31   H        28.9750    6.3723   11.9117  H     
32   H        25.7534    2.0984   17.2328  H     
33   H        26.2284    0.6874   18.2076  H     
34   H        25.7699    0.4701   16.5119  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    7 1
     6    4    5 2
     7    5    6 1
     8    6   17 1
     9    7    8 1
    10    7   10 2
    11    8   11 1
    12    8   13 2
    13    9   12 1
    14    9   13 1
    15    9   14 2
    16   10   14 1
    17   10   15 1
    18   15   16 1
    19   17   18 1
    20    1   19 1
    21    2   20 1
    22    4   21 1
    23    5   22 1
    24   11   23 1
    25   11   24 1
    26   12   25 1
    27   12   26 1
    28   15   27 1
    29   15   28 1
    30   16   29 1
    31   16   30 1
    32   16   31 1
    33   18   32 1
    34   18   33 1
    35   18   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.2220
  Crash		| -1.2267
  Polar		| 2.8195
  FragIndex	| 1
  FragRMSD	| 0.943