@<TRIPOS>MOLECULE
BindingDB_12015
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.3168    9.3854   13.5415  C     
2    C        -1.6297   10.2966   14.3660  C     
3    C        -0.9958    9.8472   15.5399  C     
4    C        -1.0465    8.4817   15.8773  C     
5    C        -1.7148    7.5695   15.0403  C     
6    F        -0.3289   10.6860   16.2877  F     
7    C        -2.3647    8.0051   13.8610  C     
8    C        -3.0269    7.0348   12.9466  C     
9    N        -3.5285    5.9040   13.6622  N     
10   C        -4.7621    5.3981   13.6609  C     
11   O        -5.6567    5.9624   13.0338  O     
12   C        -5.0685    4.2726   14.4370  C     
13   C        -6.4253    3.9057   14.6970  C     
14   C        -4.0625    3.4361   15.0150  C     
15   C        -4.3869    2.3125   15.7879  C     
16   C        -5.7387    1.9714   16.0298  C     
17   C        -6.7544    2.7944   15.4929  C     
18   S        -6.1416    0.5430   16.9294  S     
19   O        -5.3633    0.6645   18.3085  O     
20   O        -7.7069    0.3609   17.1638  O     
21   N        -5.5279   -0.8122   16.1543  N     
22   H        -2.7572    9.7309   12.6848  H     
23   H        -1.5880   11.2888   14.1040  H     
24   H        -0.5983    8.1646   16.7313  H     
25   H        -1.7016    6.5751   15.2743  H     
26   H        -3.8191    7.5273   12.3564  H     
27   H        -2.2722    6.6723   12.2393  H     
28   H        -2.8567    5.3940   14.1598  H     
29   H        -7.1956    4.4772   14.3338  H     
30   H        -3.0708    3.6311   14.8600  H     
31   H        -3.6354    1.7296   16.1642  H     
32   H        -7.7356    2.5931   15.6918  H     
33   H        -5.2167   -1.5574   16.7001  H     
34   H        -5.2249   -0.7440   15.2326  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    7    8 1
     9    8    9 1
    10    9   10 am
    11   10   11 2
    12   10   12 1
    13   12   13 1
    14   12   14 2
    15   13   17 2
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   16   18 1
    20   18   19 2
    21   18   20 2
    22   18   21 am
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0780
  Crash		| -1.2992
  Polar		| 2.5839
  FragIndex	| 1
  FragRMSD	| 0.228