@<TRIPOS>MOLECULE
BindingDB_7747
 40 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       -15.8366  206.7763  110.0140  C     
2    C       -13.8087  206.9331  111.4061  C     
3    C       -12.4908  207.3050  111.1804  C     
4    C       -14.4663  207.0608  110.1759  C     
5    N       -13.5743  207.4686  109.2718  N     
6    C       -12.4051  207.6037  109.8548  C     
7    O       -11.4273  207.9932  109.2320  O     
8    N       -10.2623  207.7719  111.8211  N     
9    C        -9.3118  208.2865  112.6502  C     
10   C        -7.1925  209.4174  114.1951  C     
11   C        -7.0037  209.1066  112.8336  C     
12   C        -8.0505  208.5505  112.0749  C     
13   C        -9.4994  208.6114  114.0171  C     
14   C        -8.4562  209.1772  114.7772  C     
15   O        -4.4660  210.0489  114.4497  O     
16   S        -5.8996  210.1109  115.1387  S     
17   O        -6.2706  211.6554  115.1917  O     
18   C       -16.5721  206.3276  111.1301  C     
19   C       -11.5185  207.4242  112.1074  C     
20   N        -5.8197  209.5448  116.7258  N     
21   C        -5.5689  210.4230  117.8153  C     
22   C       -15.9191  206.1788  112.3695  C     
23   C       -15.6332  205.7145  114.4988  C     
24   C       -14.5600  206.4888  112.5240  C     
25   S       -14.0332  206.1964  114.1490  S     
26   N       -16.4833  205.7353  113.4999  N     
27   H       -16.2890  206.8864  109.1031  H     
28   H       -13.7610  207.6256  108.3319  H     
29   H        -9.9946  207.6633  110.8961  H     
30   H        -6.1052  209.2791  112.3810  H     
31   H        -7.8851  208.3454  111.0858  H     
32   H       -10.4028  208.4601  114.4715  H     
33   H        -8.6268  209.4072  115.7594  H     
34   H       -17.5636  206.0999  111.0336  H     
35   H       -11.7447  207.2438  113.0508  H     
36   H        -5.6133  208.6027  116.8553  H     
37   H        -4.5486  210.8074  117.7575  H     
38   H        -5.6943  209.8802  118.7521  H     
39   H        -6.2697  211.2578  117.8092  H     
40   H       -15.8984  205.4096  115.4046  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1   18 1
     3    2    3 1
     4    2    4 1
     5    2   24 2
     6    3    6 1
     7    3   19 2
     8    4    5 1
     9    5    6 1
    10    6    7 2
    11    8    9 1
    12    8   19 1
    13    9   12 2
    14    9   13 1
    15   10   11 2
    16   10   14 1
    17   10   16 1
    18   11   12 1
    19   13   14 2
    20   15   16 2
    21   16   17 2
    22   16   20 1
    23   18   22 2
    24   20   21 1
    25   22   24 1
    26   22   26 1
    27   23   25 1
    28   23   26 2
    29   24   25 1
    30    1   27 1
    31    5   28 1
    32    8   29 1
    33   11   30 1
    34   12   31 1
    35   13   32 1
    36   14   33 1
    37   18   34 1
    38   19   35 1
    39   20   36 1
    40   21   37 1
    41   21   38 1
    42   21   39 1
    43   23   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.8180
  Crash		| -0.4578
  Polar		| 4.5699
  FragIndex	| 1
  FragRMSD	| 0.109