@<TRIPOS>MOLECULE
BindingDB_14774
 40 42 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        88.3313    1.1840   64.0770  C     
2    C        87.2104    1.5447   63.3068  C     
3    C        87.2824    2.5400   62.2951  C     
4    C        88.5191    3.1966   62.1068  C     
5    C        89.6568    2.8304   62.8618  C     
6    C        89.5994    1.7967   63.8082  C     
7    O        90.6938    1.4016   64.5188  O     
8    O        88.1262    0.2670   65.0793  O     
9    C        88.7568    0.3990   66.3744  C     
10   C        88.7462    1.7951   67.0454  C     
11   C        87.5276    2.7094   66.8160  C     
12   C        87.7667    2.0962   68.2016  C     
13   C        91.9571    1.1802   63.8326  C     
14   F        91.8636    0.8900   62.4918  F     
15   F        92.7582    2.2735   64.0245  F     
16   C        86.1603    2.9245   61.5517  C     
17   O        85.9930    4.1196   61.3253  O     
18   N        85.3227    2.0356   61.0412  N     
19   C        84.1858    2.3008   60.3218  C     
20   C        82.7709    1.8539   58.3896  C     
21   C        82.0756    3.4786   59.9801  C     
22   C        83.2225    3.2517   60.7702  C     
23   C        83.9405    1.5846   59.1276  C     
24   Cl       85.0328    0.4324   58.5237  Cl    
25   Cl       83.3348    4.0764   62.2459  Cl    
26   N        81.8891    2.7840   58.8341  N     
27   H        86.3065    1.1083   63.5166  H     
28   H        88.6262    3.9339   61.4077  H     
29   H        90.5281    3.3272   62.7044  H     
30   H        88.2699   -0.3329   67.0383  H     
31   H        89.7886    0.0654   66.2951  H     
32   H        89.6888    2.3459   67.1027  H     
33   H        87.7579    3.7717   66.7155  H     
34   H        86.7061    2.2831   66.2343  H     
35   H        87.0516    1.3239   68.4776  H     
36   H        88.1098    2.8042   68.9518  H     
37   H        92.4452    0.3330   64.3182  H     
38   H        85.6095    1.1015   61.0624  H     
39   H        82.5515    1.3485   57.5247  H     
40   H        81.3693    4.1548   60.2736  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1    8 1
     4    2    3 2
     5    3    4 1
     6    3   16 1
     7    4    5 2
     8    5    6 1
     9    6    7 1
    10    7   13 1
    11    8    9 1
    12    9   10 1
    13   10   11 1
    14   10   12 1
    15   11   12 1
    16   13   14 1
    17   13   15 1
    18   16   17 2
    19   16   18 am
    20   18   19 1
    21   19   22 2
    22   19   23 1
    23   20   23 2
    24   20   26 1
    25   21   22 1
    26   21   26 2
    27   22   25 1
    28   23   24 1
    29    2   27 1
    30    4   28 1
    31    5   29 1
    32    9   30 1
    33    9   31 1
    34   10   32 1
    35   11   33 1
    36   11   34 1
    37   12   35 1
    38   12   36 1
    39   13   37 1
    40   18   38 1
    41   20   39 1
    42   21   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.0827
  Crash		| -0.8042
  Polar		| 2.7138
  FragIndex	| 1
  FragRMSD	| 0.817