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


@<TRIPOS>ATOM
1    C        -1.5014    7.5318   10.6583  C     
2    C        -0.4135    8.3331   11.0330  C     
3    C         0.0835    8.2720   12.3499  C     
4    C        -0.5173    7.4062   13.2826  C     
5    C        -1.6042    6.5960   12.9119  C     
6    C        -2.1095    6.6327   11.5779  C     
7    C        -3.2558    5.7853   11.1047  C     
8    N        -3.7069    4.7679   12.0045  N     
9    C        -4.9159    4.6428   12.5670  C     
10   O        -5.7827    5.4664   12.2602  O     
11   C        -5.1928    3.6822   13.5555  C     
12   C        -4.2445    2.6958   13.9424  C     
13   C        -6.4353    3.6821   14.2426  C     
14   C        -6.7009    2.7651   15.2709  C     
15   C        -5.7527    1.7980   15.6410  C     
16   C        -4.5213    1.7734   14.9630  C     
17   S        -6.0918    0.6486   16.8920  S     
18   O        -5.8799   -0.7730   16.2074  O     
19   O        -5.0529    0.6495   18.0980  O     
20   N        -7.6813    0.5451   17.4204  N     
21   F        -2.1067    5.8402   13.8485  F     
22   F        -1.9318    7.6375    9.4260  F     
23   H         0.0330    8.9613   10.3539  H     
24   H         0.8809    8.8501   12.6169  H     
25   H        -0.1465    7.3673   14.2412  H     
26   H        -4.0636    6.4677   10.8169  H     
27   H        -2.9397    5.2613   10.2086  H     
28   H        -3.0407    4.1136   12.2460  H     
29   H        -3.3362    2.6303   13.4770  H     
30   H        -7.1667    4.3600   14.0058  H     
31   H        -7.5966    2.8103   15.7587  H     
32   H        -3.8074    1.0825   15.2112  H     
33   H        -8.2017   -0.2636   17.2401  H     
34   H        -8.1318    1.3299   17.7583  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	| 3.3958
  Crash		| -0.8867
  Polar		| 3.1380
  FragIndex	| 1
  FragRMSD	| 0.831