@<TRIPOS>MOLECULE
BindingDB_14027
 38 40 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        12.7314    8.0738    3.0956  C     
2    N        11.7307    7.1209    2.5570  N     
3    C        10.3837    7.6386    2.2270  C     
4    C         9.4755    7.6224    3.4806  C     
5    N         9.8422    8.6299    4.4404  N     
6    C        11.1098    8.5277    5.1153  C     
7    C        12.2879    9.0312    4.2416  C     
8    C         5.3531   10.1230    1.7264  C     
9    C         6.6736   10.1776    1.2595  C     
10   C         7.7435   10.1973    2.1632  C     
11   C         7.5248   10.1438    3.5589  C     
12   C         5.1055   10.0646    3.1140  C     
13   C         6.1874   10.0552    4.0530  C     
14   C         5.8524    9.9302    5.4249  C     
15   C         4.5113    9.8864    5.8279  C     
16   N         3.5183    9.9072    4.9078  N     
17   C         3.7769    9.9754    3.5840  C     
18   S         8.9820   10.0928    4.5303  S     
19   O         8.6586   10.4343    6.0486  O     
20   O         9.9208   11.2826    4.0532  O     
21   H        13.5581    7.4614    3.4626  H     
22   H        13.1194    8.6707    2.2663  H     
23   H        12.1243    6.7079    1.7081  H     
24   H        11.6167    6.3614    3.2340  H     
25   H        10.4310    8.6415    1.7937  H     
26   H         9.9513    6.9693    1.4775  H     
27   H         8.4346    7.7166    3.1651  H     
28   H         9.5451    6.6402    3.9560  H     
29   H        11.0906    9.1027    6.0441  H     
30   H        11.2957    7.4890    5.4049  H     
31   H        13.1490    9.2082    4.8941  H     
32   H        12.0245    9.9988    3.8103  H     
33   H         4.5833   10.0982    1.0470  H     
34   H         6.8610   10.1814    0.2527  H     
35   H         8.6905   10.2211    1.7755  H     
36   H         6.5652    9.8531    6.1474  H     
37   H         4.2840    9.8121    6.8142  H     
38   H         2.9905    9.9561    2.9354  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    7 1
     3    2    3 1
     4    3    4 1
     5    4    5 1
     6    5    6 1
     7    5   18 1
     8    6    7 1
     9    8    9 2
    10    8   12 1
    11    9   10 1
    12   10   11 2
    13   11   13 1
    14   11   18 1
    15   12   13 2
    16   12   17 1
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   16   17 2
    21   18   19 2
    22   18   20 2
    23    1   21 1
    24    1   22 1
    25    2   23 1
    26    2   24 1
    27    3   25 1
    28    3   26 1
    29    4   27 1
    30    4   28 1
    31    6   29 1
    32    6   30 1
    33    7   31 1
    34    7   32 1
    35    8   33 1
    36    9   34 1
    37   10   35 1
    38   14   36 1
    39   15   37 1
    40   17   38 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.6522
  Crash		| -0.6635
  Polar		| 3.0847
  FragIndex	| 1
  FragRMSD	| 1.230

@<TRIPOS>MOLECULE
BindingDB_14028
 44 46 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         9.8873    6.8149    4.9926  C     
2    C        12.1707    7.7386    5.6151  C     
3    C        12.6143    8.4147    4.2946  C     
4    C        11.5497    9.3499    3.6486  C     
5    C         9.6626    7.6444    3.6954  C     
6    N        11.2824    6.5691    5.4095  N     
7    C        10.1402    6.9144    2.4076  C     
8    N        10.1506    8.9994    3.8550  N     
9    S         9.0799   10.1342    4.5432  S     
10   O         9.3846   10.1051    6.1115  O     
11   O         9.6598   11.5544    4.1010  O     
12   C         7.5201   10.1845    3.7082  C     
13   C         5.3342    9.9967    1.8920  C     
14   C         7.7055   10.1690    2.2988  C     
15   C         6.6365   10.0817    1.4019  C     
16   C         6.1740   10.1663    4.2320  C     
17   C         5.0987   10.0247    3.2808  C     
18   C         3.7588    9.9150    3.7123  C     
19   C         4.4084   10.1710    5.9579  C     
20   C         5.7775   10.3002    5.6074  C     
21   C         6.6848   10.6263    6.7343  C     
22   N         3.4598    9.9786    5.0212  N     
23   H         9.3657    7.2988    5.8225  H     
24   H         9.4282    5.8314    4.8624  H     
25   H        13.0636    7.3592    6.1176  H     
26   H        11.7042    8.4673    6.2872  H     
27   H        13.5126    9.0125    4.5003  H     
28   H        12.9156    7.6395    3.5854  H     
29   H        11.7646   10.3489    4.0305  H     
30   H        11.7324    9.3908    2.5731  H     
31   H         8.5760    7.6786    3.5658  H     
32   H        11.2191    6.0603    6.2972  H     
33   H        11.7014    5.9348    4.7303  H     
34   H        11.1729    6.5804    2.4892  H     
35   H        10.0526    7.5811    1.5481  H     
36   H         9.5215    6.0333    2.2269  H     
37   H         4.5657    9.9168    1.2190  H     
38   H         8.6408   10.1976    1.8817  H     
39   H         6.8124   10.0745    0.3932  H     
40   H         2.9895    9.7850    3.0516  H     
41   H         4.0968   10.2239    6.9332  H     
42   H         7.2918    9.7473    6.9343  H     
43   H         6.1643   10.8568    7.6675  H     
44   H         7.2941   11.5006    6.4818  H     
@<TRIPOS>BOND
     1    1    5 1
     2    1    6 1
     3    2    3 1
     4    2    6 1
     5    3    4 1
     6    4    8 1
     7    5    7 1
     8    5    8 1
     9    8    9 1
    10    9   10 2
    11    9   11 2
    12    9   12 1
    13   12   14 2
    14   12   16 1
    15   13   15 2
    16   13   17 1
    17   14   15 1
    18   16   17 2
    19   16   20 1
    20   17   18 1
    21   18   22 2
    22   19   20 2
    23   19   22 1
    24   20   21 1
    25    1   23 1
    26    1   24 1
    27    2   25 1
    28    2   26 1
    29    3   27 1
    30    3   28 1
    31    4   29 1
    32    4   30 1
    33    5   31 1
    34    6   32 1
    35    6   33 1
    36    7   34 1
    37    7   35 1
    38    7   36 1
    39   13   37 1
    40   14   38 1
    41   15   39 1
    42   18   40 1
    43   19   41 1
    44   21   42 1
    45   21   43 1
    46   21   44 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.0035
  Crash		| -1.2764
  Polar		| 3.5942
  FragIndex	| 1
  FragRMSD	| 1.411