@<TRIPOS>MOLECULE
BindingDB_12021
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.0838    7.0905   13.5166  C     
2    C         0.4739    8.1358   14.2844  C     
3    C        -0.1229    8.5212   15.4925  C     
4    C        -1.2811    7.8672   15.9346  C     
5    C        -1.8420    6.8246   15.1878  C     
6    C        -1.2368    6.3919   13.9592  C     
7    C        -1.8479    5.3430   13.0828  C     
8    N        -2.6203    4.3115   13.7209  N     
9    C        -3.9582    4.2182   13.7620  C     
10   O        -4.6164    5.0472   13.1364  O     
11   C        -4.6130    3.3056   14.5926  C     
12   C        -3.9402    2.2042   15.1832  C     
13   C        -5.9857    3.4595   14.9085  C     
14   C        -6.6509    2.5754   15.7758  C     
15   C        -5.9631    1.4871   16.3386  C     
16   C        -4.6030    1.3085   16.0429  C     
17   S        -6.7946    0.3334   17.3397  S     
18   O        -8.3766    0.4401   17.2658  O     
19   O        -6.4954   -1.0876   16.7144  O     
20   N        -6.2601    0.2275   18.9179  N     
21   F        -2.9433    6.3122   15.6727  F     
22   F         0.3809    9.4787   16.2024  F     
23   F         0.4955    6.8086   12.3809  F     
24   H         1.3147    8.6168   13.9546  H     
25   H        -1.7192    8.1646   16.8044  H     
26   H        -2.4183    5.8559   12.3028  H     
27   H        -1.0436    4.7921   12.5726  H     
28   H        -2.1102    3.6863   14.2561  H     
29   H        -2.9495    2.0239   14.9881  H     
30   H        -6.5333    4.2393   14.5204  H     
31   H        -7.6346    2.7346   15.9912  H     
32   H        -4.0795    0.5252   16.4435  H     
33   H        -5.7471   -0.5501   19.2136  H     
34   H        -6.4771    0.9282   19.5664  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   23 1
     4    2    3 1
     5    3    4 2
     6    3   22 1
     7    4    5 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    2   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	| 3.9010
  Crash		| -1.1832
  Polar		| 1.8045
  FragIndex	| 1
  FragRMSD	| 0.900