@<TRIPOS>MOLECULE
BindingDB_16122
 41 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        50.1474   42.4949   -1.6059  C     
2    C        51.8706   44.6862   -0.8816  C     
3    C        51.8966   44.1280   -2.1810  C     
4    C        51.0536   43.0558   -2.5330  C     
5    C        50.0747   43.1019   -0.3266  C     
6    C        50.9288   44.1627    0.0321  C     
7    C        52.8062   45.7002   -0.4991  C     
8    C        54.7815   47.6179    0.2074  C     
9    C        54.2200   47.6388   -1.0832  C     
10   C        53.2227   46.6955   -1.4192  C     
11   C        53.3853   45.7105    0.7955  C     
12   C        54.3603   46.6625    1.1468  C     
13   F        51.1514   42.5756   -3.7426  F     
14   O        54.6146   48.6300   -1.9449  O     
15   C        55.2229   48.1709   -3.1649  C     
16   N        49.3576   41.4496   -2.0434  N     
17   C        48.9405   40.3395   -1.4411  C     
18   O        49.4301   40.0560   -0.3557  O     
19   C        47.8899   39.5332   -1.9358  C     
20   C        45.9214   38.2145   -1.6702  C     
21   C        47.3396   39.6493   -3.2429  C     
22   S        45.8490   38.7908   -3.2735  S     
23   C        47.7758   40.2466   -4.4440  C     
24   O        49.0073   39.9963   -4.9387  O     
25   O        46.8644   40.6264   -5.3604  O     
26   C        47.1243   38.6504   -1.1043  C     
27   C        47.5093   38.1082    0.1451  C     
28   O        46.6090   37.5171    0.9655  O     
29   O        48.8007   37.8144    0.3871  O     
30   H        52.5669   44.4715   -2.8766  H     
31   H        49.3958   42.7888    0.3656  H     
32   H        50.8499   44.5550    0.9750  H     
33   H        55.4911   48.3057    0.4698  H     
34   H        52.7967   46.7438   -2.3479  H     
35   H        53.1195   45.0108    1.4925  H     
36   H        54.7686   46.6579    2.0839  H     
37   H        56.0172   47.4369   -2.9826  H     
38   H        55.6620   49.0362   -3.6692  H     
39   H        54.4689   47.7353   -3.8299  H     
40   H        49.1058   41.5100   -2.9673  H     
41   H        45.2296   37.5909   -1.2522  H     
@<TRIPOS>BOND
     1    1    4 1
     2    1    5 2
     3    1   16 1
     4    2    3 1
     5    2    6 2
     6    2    7 1
     7    3    4 2
     8    4   13 1
     9    5    6 1
    10    7   10 1
    11    7   11 2
    12    8    9 1
    13    8   12 2
    14    9   10 2
    15    9   14 1
    16   11   12 1
    17   14   15 1
    18   16   17 am
    19   17   18 2
    20   17   19 1
    21   19   21 2
    22   19   26 1
    23   20   22 1
    24   20   26 2
    25   21   22 1
    26   21   23 1
    27   23   24 2
    28   23   25 1
    29   26   27 1
    30   27   28 2
    31   27   29 1
    32    3   30 1
    33    5   31 1
    34    6   32 1
    35    8   33 1
    36   10   34 1
    37   11   35 1
    38   12   36 1
    39   15   37 1
    40   15   38 1
    41   15   39 1
    42   16   40 1
    43   20   41 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.5110
  Crash		| -2.4548
  Polar		| 4.5804
  FragIndex	| 1
  FragRMSD	| 1.354