@<TRIPOS>MOLECULE
BindingDB_24066
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    O        16.6703   16.9465  111.0960  O     
2    C        19.6498   15.8522  108.0894  C     
3    C        20.0163   15.0994  109.2603  C     
4    N        18.1000   16.3529  109.5026  N     
5    C        18.4355   14.5136  111.1497  C     
6    C        19.0410   14.1424  112.3726  C     
7    C        17.2886   13.8036  110.7238  C     
8    C        16.7444   12.7740  111.5128  C     
9    C        17.3524   12.4257  112.7299  C     
10   C        18.5093   13.0985  113.1553  C     
11   C        20.4256   16.0547  106.9271  C     
12   C        22.4016   15.7108  105.4861  C     
13   C        22.0037   16.7675  104.6559  C     
14   C        20.8123   17.4503  104.9207  C     
15   C        20.0377   17.0964  106.0360  C     
16   C        21.6268   15.3427  106.6074  C     
17   C        16.9938   16.9827  109.9152  C     
18   C        19.0166   15.6139  110.3204  C     
19   N        18.5530   16.4733  108.3237  N     
20   O        19.1035   12.7099  114.3077  O     
21   C        16.1327   17.7324  109.0190  C     
22   Cl       22.2238   13.9921  107.4490  Cl    
23   H        19.8943   14.0306  109.0647  H     
24   H        21.0454   15.3089  109.5576  H     
25   H        19.8850   14.6231  112.6951  H     
26   H        16.8355   14.0374  109.8366  H     
27   H        15.9098   12.2754  111.2019  H     
28   H        16.9555   11.6774  113.3010  H     
29   H        23.2617   15.2049  105.2557  H     
30   H        22.5573   17.0179  103.8376  H     
31   H        20.5122   18.2038  104.2998  H     
32   H        19.1870   17.6409  106.1962  H     
33   H        19.5318   16.3395  110.9617  H     
34   H        19.6217   13.4837  114.6182  H     
35   H        15.2754   18.1656  109.5400  H     
36   H        15.7580   17.0726  108.2353  H     
37   H        16.6977   18.5444  108.5573  H     
@<TRIPOS>BOND
     1    1   17 2
     2    2    3 1
     3    2   11 1
     4    2   19 2
     5    3   18 1
     6    4   17 am
     7    4   18 1
     8    4   19 1
     9    5    6 2
    10    5    7 1
    11    5   18 1
    12    6   10 1
    13    7    8 2
    14    8    9 1
    15    9   10 2
    16   10   20 1
    17   11   15 2
    18   11   16 1
    19   12   13 1
    20   12   16 2
    21   13   14 2
    22   14   15 1
    23   16   22 1
    24   17   21 1
    25    3   23 1
    26    3   24 1
    27    6   25 1
    28    7   26 1
    29    8   27 1
    30    9   28 1
    31   12   29 1
    32   13   30 1
    33   14   31 1
    34   15   32 1
    35   18   33 1
    36   20   34 1
    37   21   35 1
    38   21   36 1
    39   21   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.3630
  Crash		| -2.2847
  Polar		| 0.5263
  FragIndex	| 1
  FragRMSD	| 1.357

@<TRIPOS>MOLECULE
BindingDB_50164860
 37 39 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        17.8738   16.2664  109.7498  N     
2    N        18.7279   16.5930  108.8701  N     
3    C        19.3793   15.6177  108.3526  C     
4    C        17.8668   14.8479  109.9580  C     
5    C        18.9365   14.3752  108.9367  C     
6    C        20.3064   15.7897  107.3108  C     
7    C        17.0969   17.1618  110.3642  C     
8    C        18.1799   14.4156  111.3597  C     
9    C        21.4069   14.9124  107.0934  C     
10   C        20.1443   16.8783  106.4095  C     
11   C        17.4607   13.3617  111.9736  C     
12   O        16.2251   16.7907  111.1393  O     
13   C        22.2926   15.1209  106.0205  C     
14   C        21.0193   17.0681  105.3242  C     
15   C        17.7805   12.9247  113.2762  C     
16   F        21.6928   13.9158  107.8865  F     
17   C        22.0939   16.1879  105.1321  C     
18   F        20.8265   18.0459  104.4869  F     
19   O        17.1115   11.8890  113.8468  O     
20   C        19.2251   15.0288  112.0934  C     
21   C        17.2486   18.5906  110.1847  C     
22   C        19.5372   14.6065  113.4001  C     
23   C        18.8201   13.5528  113.9895  C     
24   H        16.8869   14.4589  109.6529  H     
25   H        18.4888   13.7334  108.1643  H     
26   H        19.7549   13.8406  109.4221  H     
27   H        19.3598   17.5254  106.5124  H     
28   H        16.7144   12.8816  111.4612  H     
29   H        23.0858   14.4903  105.8791  H     
30   H        22.7207   16.3030  104.3390  H     
31   H        16.2606   11.7900  113.3553  H     
32   H        19.7657   15.7950  111.6849  H     
33   H        18.2651   18.8886  110.4479  H     
34   H        16.5630   19.1663  110.8097  H     
35   H        17.0643   18.8630  109.1448  H     
36   H        20.3044   15.0531  113.9112  H     
37   H        19.0543   13.2424  114.9354  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1    7 am
     4    2    3 2
     5    3    5 1
     6    3    6 1
     7    4    5 1
     8    4    8 1
     9    6    9 2
    10    6   10 1
    11    7   12 2
    12    7   21 1
    13    8   11 1
    14    8   20 2
    15    9   13 1
    16    9   16 1
    17   10   14 2
    18   11   15 2
    19   13   17 2
    20   14   17 1
    21   14   18 1
    22   15   19 1
    23   15   23 1
    24   20   22 1
    25   22   23 2
    26    4   24 1
    27    5   25 1
    28    5   26 1
    29   10   27 1
    30   11   28 1
    31   13   29 1
    32   17   30 1
    33   19   31 1
    34   20   32 1
    35   21   33 1
    36   21   34 1
    37   21   35 1
    38   22   36 1
    39   23   37 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8583
  Crash		| -0.8431
  Polar		| 1.2520
  FragIndex	| 1
  FragRMSD	| 1.085