@<TRIPOS>MOLECULE
BindingDB_7123
 48 51 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -12.4431  203.4001  110.5430  C     
2    C       -11.4190  203.5841  111.4647  C     
3    C       -10.4256  204.2972  110.7967  C     
4    N       -12.0336  203.9821  109.4072  N     
5    N       -10.8564  204.5029  109.5415  N     
6    N        -9.2471  204.8159  111.2052  N     
7    C        -8.7028  204.8211  112.4152  C     
8    O        -9.2400  204.2678  113.3722  O     
9    C        -7.4851  205.5964  112.6429  C     
10   C        -6.2703  204.7242  112.8281  C     
11   C        -5.8304  204.2636  114.0956  C     
12   C        -5.4528  204.4034  111.7149  C     
13   C        -4.2466  203.6954  111.8674  C     
14   C       -13.7759  202.7859  110.6946  C     
15   C       -13.8221  201.2615  110.8730  C     
16   C       -14.2211  202.1778  112.0401  C     
17   C        -4.6176  203.5795  114.2506  C     
18   C        -3.7780  203.2803  113.1402  C     
19   C        -7.7898  206.6591  113.7451  C     
20   C        -1.7368  202.1427  112.2340  C     
21   N        -2.5601  202.6507  113.3023  N     
22   C        -0.6255  201.3168  112.9126  C     
23   C        -0.5014  201.9587  114.3000  C     
24   C        -1.9350  202.4488  114.5764  C     
25   H       -11.4095  203.2798  112.4400  H     
26   H       -12.5516  204.0267  108.5869  H     
27   H        -8.7508  205.2879  110.5178  H     
28   H        -7.2642  206.1912  111.7480  H     
29   H        -6.3685  204.4553  114.9400  H     
30   H        -5.7270  204.7102  110.7799  H     
31   H        -3.6825  203.5295  111.0275  H     
32   H       -14.5912  203.1952  110.0959  H     
33   H       -14.6525  200.7470  110.3866  H     
34   H       -12.8675  200.7442  110.9840  H     
35   H       -13.5165  202.1967  112.8711  H     
36   H       -15.2905  202.1923  112.2508  H     
37   H        -4.3529  203.3084  115.1991  H     
38   H        -8.6436  207.2818  113.4616  H     
39   H        -6.9354  207.3184  113.8891  H     
40   H        -8.0181  206.1784  114.7010  H     
41   H        -2.3116  201.4883  111.5677  H     
42   H        -1.3082  202.9672  111.6533  H     
43   H        -0.9437  200.2730  113.0199  H     
44   H         0.3151  201.3576  112.3559  H     
45   H        -0.1566  201.2400  115.0470  H     
46   H         0.1942  202.8044  114.2585  H     
47   H        -1.8838  203.3844  115.1466  H     
48   H        -2.4877  201.6999  115.1498  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    1   14 1
     4    2    3 1
     5    3    5 2
     6    3    6 1
     7    4    5 1
     8    6    7 am
     9    7    8 2
    10    7    9 1
    11    9   10 1
    12    9   19 1
    13   10   11 1
    14   10   12 2
    15   11   17 2
    16   12   13 1
    17   13   18 2
    18   14   15 1
    19   14   16 1
    20   15   16 1
    21   17   18 1
    22   18   21 1
    23   20   21 1
    24   20   22 1
    25   21   24 1
    26   22   23 1
    27   23   24 1
    28    2   25 1
    29    4   26 1
    30    6   27 1
    31    9   28 1
    32   11   29 1
    33   12   30 1
    34   13   31 1
    35   14   32 1
    36   15   33 1
    37   15   34 1
    38   16   35 1
    39   16   36 1
    40   17   37 1
    41   19   38 1
    42   19   39 1
    43   19   40 1
    44   20   41 1
    45   20   42 1
    46   22   43 1
    47   22   44 1
    48   23   45 1
    49   23   46 1
    50   24   47 1
    51   24   48 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9191
  Crash		| -0.5942
  Polar		| 2.9756
  FragIndex	| 1
  FragRMSD	| 0.681