@<TRIPOS>MOLECULE
BindingDB_14791
 38 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        42.4391    1.1140   64.6668  C     
2    C        43.6465    1.5380   64.0979  C     
3    N        41.4242    1.6310   63.9601  N     
4    N        41.8962    2.3320   62.9756  N     
5    C        42.2187    0.2625   65.8555  C     
6    C        44.9526    1.3021   64.5924  C     
7    O        45.1445    0.7620   65.8261  O     
8    O        46.0449    1.6916   63.8830  O     
9    C        47.4092    1.6112   64.3066  C     
10   C        48.3021    2.4959   63.3952  C     
11   C        41.0313    2.9577   62.1238  C     
12   C        39.9976    3.7892   62.6191  C     
13   C        39.0497    4.3675   61.7490  C     
14   C        39.1125    4.1247   60.3629  C     
15   C        40.1543    3.3214   59.8600  C     
16   C        41.1131    2.7537   60.7277  C     
17   C        43.2578    2.3143   63.0005  C     
18   C        44.1682    3.0404   62.0824  C     
19   O        38.2250    4.6884   59.4711  O     
20   C        36.8235    4.5161   59.7746  C     
21   F        36.1216    5.0062   58.7133  F     
22   F        36.4682    3.1950   59.9371  F     
23   F        36.4306    5.2282   60.8948  F     
24   H        42.7069   -0.7040   65.7080  H     
25   H        41.1586    0.0932   66.0154  H     
26   H        42.6288    0.7458   66.7381  H     
27   H        47.5068    1.9882   65.3427  H     
28   H        47.7608    0.5785   64.2517  H     
29   H        48.2948    2.0799   62.3792  H     
30   H        49.3291    2.4997   63.7703  H     
31   H        47.9239    3.5192   63.3712  H     
32   H        39.9118    3.9565   63.6249  H     
33   H        38.3069    4.9677   62.1302  H     
34   H        40.2127    3.1295   58.8504  H     
35   H        41.8343    2.1414   60.3355  H     
36   H        44.7813    3.7353   62.6541  H     
37   H        43.6269    3.6077   61.3312  H     
38   H        44.8103    2.3194   61.5735  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    5 1
     4    2    6 1
     5    2   17 2
     6    3    4 1
     7    4   11 1
     8    4   17 1
     9    6    7 2
    10    6    8 1
    11    8    9 1
    12    9   10 1
    13   11   12 2
    14   11   16 1
    15   12   13 1
    16   13   14 2
    17   14   15 1
    18   14   19 1
    19   15   16 2
    20   17   18 1
    21   19   20 1
    22   20   21 1
    23   20   22 1
    24   20   23 1
    25    5   24 1
    26    5   25 1
    27    5   26 1
    28    9   27 1
    29    9   28 1
    30   10   29 1
    31   10   30 1
    32   10   31 1
    33   12   32 1
    34   13   33 1
    35   15   34 1
    36   16   35 1
    37   18   36 1
    38   18   37 1
    39   18   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.7020
  Crash		| -0.4662
  Polar		| 1.1007
  FragIndex	| 1
  FragRMSD	| 0.232