@<TRIPOS>MOLECULE
BindingDB_30181
 35 38 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       235.7247   83.0345  184.1360  C     
2    C       236.6506   83.9856  183.6385  C     
3    N       236.1554   85.1558  183.1525  N     
4    C       234.8389   85.4639  183.1169  C     
5    C       233.8958   84.5324  183.5763  C     
6    C       234.3312   83.2889  184.0891  C     
7    C       233.4044   82.2963  184.5114  C     
8    C       232.6367   80.4353  185.4220  C     
9    N       233.7165   81.2123  185.2509  N     
10   C       232.0429   82.1975  184.1986  C     
11   C       231.1055   78.5271  186.0769  C     
12   C       232.5470   79.1379  186.1188  C     
13   C       231.5666   81.0153  184.7501  C     
14   C       230.3384   80.3970  184.6792  C     
15   N       230.1324   79.2327  185.2816  N     
16   O       229.4202   80.8968  184.0408  O     
17   C       238.0574   83.7642  183.5922  C     
18   N       240.0916   82.7787  184.4550  N     
19   C       240.8249   83.3975  183.4963  C     
20   N       240.2042   84.1930  182.5845  N     
21   C       238.8635   84.3872  182.6086  C     
22   C       238.7440   82.9346  184.5174  C     
23   H       236.0644   82.1305  184.4740  H     
24   H       234.5399   86.3699  182.7550  H     
25   H       232.9022   84.7712  183.5253  H     
26   H       234.5988   81.0065  185.5944  H     
27   H       231.4948   82.8389  183.6285  H     
28   H       231.1663   77.5025  185.6954  H     
29   H       230.7054   78.4841  187.0948  H     
30   H       233.2514   78.4532  185.6361  H     
31   H       232.8645   79.2708  187.1591  H     
32   H       229.2555   78.8274  185.1964  H     
33   H       241.8357   83.2642  183.4554  H     
34   H       238.4539   84.9928  181.8931  H     
35   H       238.2403   82.4479  185.2580  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   20   21 2
    26    1   23 1
    27    4   24 1
    28    5   25 1
    29    9   26 1
    30   10   27 1
    31   11   28 1
    32   11   29 1
    33   12   30 1
    34   12   31 1
    35   15   32 1
    36   19   33 1
    37   21   34 1
    38   22   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9550
  Crash		| -0.4841
  Polar		| 2.4816
  FragIndex	| 1
  FragRMSD	| 0.225