@<TRIPOS>MOLECULE
BindingDB_12019
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7870    8.0978   15.4182  C     
2    C        -1.4608    9.1894   16.2387  C     
3    C        -0.3717   10.0136   15.9253  C     
4    C         0.3754    9.7621   14.7614  C     
5    C         0.0481    8.6722   13.9314  C     
6    C        -1.0219    7.7884   14.2537  C     
7    C        -1.3637    6.6648   13.3239  C     
8    N        -2.1048    5.5701   13.8864  N     
9    C        -3.4025    5.2909   13.7132  C     
10   O        -4.0508    5.9952   12.9502  O     
11   C        -4.0585    4.2965   14.4499  C     
12   C        -5.4802    4.2171   14.4852  C     
13   C        -3.3461    3.3437   15.2242  C     
14   C        -4.0073    2.3755   15.9988  C     
15   C        -5.4124    2.3422   16.0438  C     
16   C        -6.1488    3.2692   15.2828  C     
17   S        -6.2034    1.1329   17.0148  S     
18   O        -6.0311   -0.2064   16.1846  O     
19   O        -5.4572    0.8753   18.3904  O     
20   N        -7.8602    1.2855   17.2084  N     
21   F         0.7644    8.5052   12.8477  F     
22   F        -2.8362    7.4176   15.7678  F     
23   H        -2.0200    9.3917   17.0685  H     
24   H        -0.1292   10.7951   16.5379  H     
25   H         1.1614   10.3766   14.5315  H     
26   H        -1.8712    7.0976   12.4692  H     
27   H        -0.4387    6.2094   12.9659  H     
28   H        -1.6124    5.0107   14.5054  H     
29   H        -6.0542    4.8694   13.9421  H     
30   H        -2.3245    3.3336   15.2386  H     
31   H        -3.4531    1.7043   16.5356  H     
32   H        -7.1696    3.2692   15.3063  H     
33   H        -8.4200    0.5097   17.0192  H     
34   H        -8.2585    2.1578   17.2505  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    2   23 1
    25    3   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.9787
  Crash		| -1.3337
  Polar		| 2.7052
  FragIndex	| 1
  FragRMSD	| 0.874