@<TRIPOS>MOLECULE
BindingDB_8046
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         4.9928   45.7193    0.4766  C     
2    C         6.2347   47.6534    0.6304  C     
3    C         5.0751   48.1617    1.2641  C     
4    N         6.1526   46.3534    0.2301  N     
5    C         4.6930   44.3254    0.1344  C     
6    C         7.4948   48.3753    0.3783  C     
7    S         3.9615   46.8473    1.2491  S     
8    C         4.7391   49.4238    1.8369  C     
9    C         5.5535   50.5797    1.8714  C     
10   C         5.0408   51.7524    2.4551  C     
11   C         3.0067   50.6568    2.9817  C     
12   N         3.5045   49.5373    2.3995  N     
13   N         3.7941   51.7643    2.9916  N     
14   N         1.7646   50.7338    3.5161  N     
15   C         0.7781   49.7841    3.6185  C     
16   C        -0.1382   47.4981    3.5499  C     
17   C         0.9525   48.3854    3.4744  C     
18   C        -0.5245   50.2538    3.9060  C     
19   C        -1.6164   49.3708    4.0042  C     
20   C        -1.4284   47.9914    3.8096  C     
21   F        -2.4390   47.1715    3.9122  F     
22   H         4.7725   44.1907   -0.9449  H     
23   H         3.6836   44.0579    0.4515  H     
24   H         5.4068   43.6657    0.6280  H     
25   H         7.3090   49.2306   -0.2746  H     
26   H         8.2264   47.7290   -0.1100  H     
27   H         7.9210   48.7115    1.3249  H     
28   H         6.4914   50.6028    1.4725  H     
29   H         5.6041   52.6020    2.4736  H     
30   H         1.5121   51.6179    3.8191  H     
31   H         0.0092   46.4946    3.4092  H     
32   H         1.8766   47.9859    3.3335  H     
33   H        -0.6984   51.2514    4.0493  H     
34   H        -2.5519   49.7320    4.2196  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    5 1
     3    1    7 1
     4    2    3 2
     5    2    4 1
     6    2    6 1
     7    3    7 1
     8    3    8 1
     9    8    9 1
    10    8   12 2
    11    9   10 2
    12   10   13 1
    13   11   12 1
    14   11   13 2
    15   11   14 1
    16   14   15 1
    17   15   17 1
    18   15   18 2
    19   16   17 2
    20   16   20 1
    21   18   19 1
    22   19   20 2
    23   20   21 1
    24    5   22 1
    25    5   23 1
    26    5   24 1
    27    6   25 1
    28    6   26 1
    29    6   27 1
    30    9   28 1
    31   10   29 1
    32   14   30 1
    33   16   31 1
    34   17   32 1
    35   18   33 1
    36   19   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3355
  Crash		| -0.8538
  Polar		| 2.2042
  FragIndex	| 1
  FragRMSD	| 0.356