@<TRIPOS>MOLECULE
BindingDB_13489
 52 55 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.6837    7.9477   47.3159  C     
2    C         3.7654    7.8237   46.4200  C     
3    C         4.8560    8.7073   46.4942  C     
4    C         4.9100    9.7333   47.4704  C     
5    C         3.8491    9.8118   48.4012  C     
6    C         2.7340    8.9587   48.2998  C     
7    C         6.0824   10.6571   47.5239  C     
8    C         6.9559   12.5596   48.7828  C     
9    C         5.8783   12.1601   47.9017  C     
10   N         7.7502   11.6144   49.2171  N     
11   O         6.7618    9.1611   49.8575  O     
12   O         7.1675   13.7262   49.0819  O     
13   C         1.4924    7.0653   47.1948  C     
14   C         0.2840    7.6057   46.3533  C     
15   C         0.5558    8.8545   45.6108  C     
16   C         1.2878   10.2316   44.1128  C     
17   C         0.7775   10.9588   45.1868  C     
18   C         1.8686   12.2815   42.9765  C     
19   C         1.8366   10.8704   42.9929  C     
20   C         0.8155   12.3652   45.1891  C     
21   C         1.3664   13.0240   44.0703  C     
22   N         0.3365   10.0909   46.1051  N     
23   N         1.1420    8.9390   44.4019  N     
24   N        -0.1405    6.6001   45.4105  N     
25   S         7.3229   10.0858   48.6931  S     
26   O         8.5468    9.4711   47.8905  O     
27   C        -1.2334    5.8438   45.4664  C     
28   O        -2.0419    5.9851   46.3758  O     
29   C        -1.4649    4.8258   44.4406  C     
30   C        -1.9087    5.4388   43.0887  C     
31   F        -0.3238    4.0748   44.2634  F     
32   F        -2.4322    3.9246   44.8328  F     
33   H         3.7544    7.1024   45.6934  H     
34   H         5.6144    8.5914   45.8208  H     
35   H         3.8725   10.5010   49.1563  H     
36   H         1.9537    9.0813   48.9511  H     
37   H         6.5678   10.6489   46.5429  H     
38   H         5.8994   12.7802   46.9994  H     
39   H         4.9372   12.3483   48.4136  H     
40   H         8.5942   11.8058   49.6533  H     
41   H         1.8194    6.1018   46.7979  H     
42   H         1.1312    6.8540   48.2047  H     
43   H        -0.5238    7.8422   47.0517  H     
44   H         2.2534   12.7678   42.1634  H     
45   H         2.2061   10.3234   42.2124  H     
46   H         0.4671   12.8949   45.9935  H     
47   H         1.3962   14.0460   44.0471  H     
48   H         1.3942    8.1960   43.8325  H     
49   H         0.4708    6.4123   44.6762  H     
50   H        -2.8518    5.9742   43.2099  H     
51   H        -2.0512    4.6548   42.3434  H     
52   H        -1.1604    6.1377   42.7151  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   13 1
     4    2    3 2
     5    3    4 1
     6    4    5 2
     7    4    7 1
     8    5    6 1
     9    7    9 1
    10    7   25 1
    11    8    9 1
    12    8   10 1
    13    8   12 2
    14   10   25 1
    15   11   25 2
    16   14   13 1
    17   14   15 1
    18   14   24 1
    19   15   22 2
    20   15   23 1
    21   16   17 2
    22   16   19 1
    23   16   23 1
    24   17   20 1
    25   17   22 1
    26   18   19 2
    27   18   21 1
    28   20   21 2
    29   24   27 am
    30   25   26 2
    31   27   28 2
    32   27   29 1
    33   29   30 1
    34   29   31 1
    35   29   32 1
    36    2   33 1
    37    3   34 1
    38    5   35 1
    39    6   36 1
    40    7   37 1
    41    9   38 1
    42    9   39 1
    43   10   40 1
    44   13   41 1
    45   13   42 1
    46   14   43 1
    47   18   44 1
    48   19   45 1
    49   20   46 1
    50   21   47 1
    51   23   48 1
    52   24   49 1
    53   30   50 1
    54   30   51 1
    55   30   52 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7354
  Crash		| -2.7367
  Polar		| 5.1202
  FragIndex	| 1
  FragRMSD	| 1.150