@<TRIPOS>MOLECULE
BindingDB_30195
 40 43 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C       235.7389   82.9170  183.9614  C     
2    C       236.6705   83.9198  183.5745  C     
3    N       236.1465   85.1249  183.2093  N     
4    C       234.8231   85.4140  183.1577  C     
5    C       233.8870   84.4173  183.4832  C     
6    C       234.3404   83.1418  183.8879  C     
7    C       233.4311   82.0902  184.2021  C     
8    C       232.7391   80.0603  184.7420  C     
9    N       233.8084   80.8316  184.5129  N     
10   C       232.0320   82.1031  184.2065  C     
11   C       231.2751   78.1532  185.4648  C     
12   C       232.7081   78.6248  185.0700  C     
13   C       231.6041   80.8235  184.5349  C     
14   C       230.3515   80.2517  184.6086  C     
15   N       230.2027   78.9931  185.0031  N     
16   O       229.3597   80.8871  184.2795  O     
17   C       238.0982   83.7435  183.5621  C     
18   C       240.2073   82.8395  184.4868  C     
19   C       240.9762   83.5149  183.5122  C     
20   C       240.2813   84.2640  182.5408  C     
21   C       238.8825   84.3689  182.5597  C     
22   C       238.8016   82.9532  184.5083  C     
23   C       242.4634   83.4394  183.5297  C     
24   F       243.0786   84.1999  182.5621  F     
25   F       242.9474   83.8821  184.7343  F     
26   F       242.8754   82.1428  183.3413  F     
27   H       236.0836   82.0233  184.3120  H     
28   H       234.5228   86.3425  182.8651  H     
29   H       232.8969   84.6379  183.4074  H     
30   H       234.7235   80.5168  184.5486  H     
31   H       231.4192   82.8912  183.9862  H     
32   H       231.1078   77.1458  185.0787  H     
33   H       231.2021   78.1073  186.5543  H     
34   H       233.0545   78.0708  184.1949  H     
35   H       233.4013   78.4326  185.8980  H     
36   H       229.3035   78.6373  185.0585  H     
37   H       240.6648   82.2544  185.1905  H     
38   H       240.7913   84.7712  181.8112  H     
39   H       238.4528   84.9477  181.8421  H     
40   H       238.3039   82.4172  185.2220  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   17 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    6    7 1
     9    7    9 1
    10    7   10 2
    11    8    9 1
    12    8   12 1
    13    8   13 2
    14   10   13 1
    15   11   12 1
    16   11   15 1
    17   13   14 1
    18   14   15 1
    19   14   16 2
    20   17   21 1
    21   17   22 2
    22   18   19 2
    23   18   22 1
    24   19   20 1
    25   19   23 1
    26   20   21 2
    27   23   24 1
    28   23   25 1
    29   23   26 1
    30    1   27 1
    31    4   28 1
    32    5   29 1
    33    9   30 1
    34   10   31 1
    35   11   32 1
    36   11   33 1
    37   12   34 1
    38   12   35 1
    39   15   36 1
    40   18   37 1
    41   20   38 1
    42   21   39 1
    43   22   40 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.6425
  Crash		| -0.4594
  Polar		| 2.4675
  FragIndex	| 1
  FragRMSD	| 0.432