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


@<TRIPOS>ATOM
1    C         0.2941    0.2848   40.5437  C     
2    C         1.5963    0.1035   41.0698  C     
3    C         2.0905    0.8889   42.1434  C     
4    C         1.2070    1.8371   42.7176  C     
5    C        -0.1046    1.9893   42.2436  C     
6    C        -0.5742    1.2007   41.1764  C     
7    O        -1.8542    1.3812   40.7172  O     
8    O        -0.1935   -0.3874   39.4415  O     
9    C         0.7031   -1.0319   38.5116  C     
10   C         1.4829   -0.0333   37.6245  C     
11   C         1.1569    0.1345   36.1314  C     
12   C         0.7305    1.2121   37.1322  C     
13   C        -2.8852    1.1417   41.6978  C     
14   F        -4.0322    1.7565   41.2597  F     
15   F        -3.1452   -0.2035   41.8374  F     
16   C         3.4195    0.7817   42.5706  C     
17   O         4.2502    0.2434   41.8455  O     
18   N         3.8037    1.2734   43.7449  N     
19   C         5.0768    1.3666   44.2298  C     
20   C         7.3442    2.2525   44.1601  C     
21   C         6.6808    0.9050   46.0028  C     
22   C         5.3854    0.7544   45.4697  C     
23   C         6.0687    2.1432   43.5739  C     
24   Cl        5.7714    3.0219   42.1512  Cl    
25   Cl        4.2569   -0.1816   46.3260  Cl    
26   N         7.6064    1.6398   45.3387  N     
27   H         2.1930   -0.6144   40.6497  H     
28   H         1.5114    2.4560   43.4735  H     
29   H        -0.7159    2.6889   42.6722  H     
30   H         1.4278   -1.6432   39.0476  H     
31   H         0.1082   -1.7053   37.8928  H     
32   H         2.5127    0.1764   37.9066  H     
33   H         1.9948    0.4055   35.4883  H     
34   H         0.3523   -0.4798   35.7289  H     
35   H        -0.3382    1.2616   37.3379  H     
36   H         1.3095    2.1358   37.1206  H     
37   H        -2.6321    1.5693   42.6756  H     
38   H         3.0990    1.5416   44.3538  H     
39   H         8.0802    2.8058   43.7168  H     
40   H         6.9451    0.4670   46.8884  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	| 6.9481
  Crash		| -1.4771
  Polar		| 2.0514
  FragIndex	| 1
  FragRMSD	| 0.901

@<TRIPOS>MOLECULE
BindingDB_14775
 43 45 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.7747    0.4845   39.8676  C     
2    C         2.0546    0.6233   40.4397  C     
3    C         2.2446    0.7210   41.8404  C     
4    C         1.0820    0.7292   42.6523  C     
5    C        -0.2037    0.6401   42.0879  C     
6    C        -0.3706    0.5414   40.6895  C     
7    O        -1.5922    0.4173   40.0755  O     
8    O         0.6504    0.3067   38.5099  O     
9    C        -2.7243    1.0805   40.6636  C     
10   C         3.5371    0.8093   42.3754  C     
11   O         4.5083    0.5379   41.6728  O     
12   N         3.7521    1.1993   43.6298  N     
13   C         4.9690    1.4393   44.2064  C     
14   C         7.1569    2.5090   44.2436  C     
15   C         6.5552    1.0334   46.0074  C     
16   C         5.2862    0.8125   45.4358  C     
17   C         5.9082    2.3274   43.6185  C     
18   Cl        5.5646    3.2309   42.2214  Cl    
19   Cl        4.2032   -0.2236   46.2329  Cl    
20   N         7.4387    1.8604   45.3986  N     
21   C         1.0212   -1.0159   38.0432  C     
22   C         0.7438   -1.1780   36.5267  C     
23   C         2.0248   -1.7584   35.8904  C     
24   C         2.8578   -2.3018   37.0596  C     
25   C         2.5264   -1.3380   38.2049  C     
26   H         2.8597    0.6463   39.8106  H     
27   H         1.1514    0.7836   43.6709  H     
28   H        -1.0176    0.6327   42.7050  H     
29   H        -3.0699    0.5393   41.5447  H     
30   H        -3.5302    1.0836   39.9308  H     
31   H        -2.4989    2.1135   40.9341  H     
32   H         2.9807    1.2795   44.2083  H     
33   H         7.8560    3.1389   43.8458  H     
34   H         6.8295    0.5786   46.8816  H     
35   H         0.4368   -1.7803   38.5680  H     
36   H        -0.0870   -1.8715   36.3692  H     
37   H         0.4833   -0.2245   36.0600  H     
38   H         1.8004   -2.5563   35.1793  H     
39   H         2.5805   -0.9706   35.3754  H     
40   H         2.5413   -3.3176   37.3173  H     
41   H         3.9265   -2.3065   36.8279  H     
42   H         3.1230   -0.4291   38.0904  H     
43   H         2.7435   -1.7885   39.1763  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   10 1
     7    4    5 2
     8    5    6 1
     9    6    7 1
    10    7    9 1
    11    8   21 1
    12   10   11 2
    13   10   12 am
    14   12   13 1
    15   13   16 2
    16   13   17 1
    17   14   17 2
    18   14   20 1
    19   15   16 1
    20   15   20 2
    21   16   19 1
    22   17   18 1
    23   21   22 1
    24   21   25 1
    25   22   23 1
    26   23   24 1
    27   24   25 1
    28    2   26 1
    29    4   27 1
    30    5   28 1
    31    9   29 1
    32    9   30 1
    33    9   31 1
    34   12   32 1
    35   14   33 1
    36   15   34 1
    37   21   35 1
    38   22   36 1
    39   22   37 1
    40   23   38 1
    41   23   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4062
  Crash		| -1.0524
  Polar		| 1.2808
  FragIndex	| 1
  FragRMSD	| 0.500