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


@<TRIPOS>ATOM
1    C        12.0568    9.9784    1.7825  C     
2    N        11.8392    8.5207    1.6368  N     
3    C        10.5916    7.9684    2.2026  C     
4    C        10.4690    8.1397    3.7347  C     
5    N        10.1142    9.4963    4.1090  N     
6    C        11.1006   10.5572    4.1368  C     
7    C        12.3597   10.4145    3.2418  C     
8    C         5.1595   10.6089    1.7703  C     
9    C         6.5008   10.6297    1.3790  C     
10   C         7.5119   10.3857    2.3195  C     
11   C         7.2107   10.1185    3.6716  C     
12   C         4.8201   10.3300    3.1110  C     
13   C         5.8422   10.0978    4.0863  C     
14   C         5.4255    9.8665    5.4265  C     
15   C         4.0582    9.8489    5.7525  C     
16   N         3.1338   10.0461    4.7866  N     
17   C         3.4622   10.2852    3.4971  C     
18   S         8.5696    9.8385    4.7421  S     
19   O         8.1520    8.7140    5.7854  O     
20   O         8.7029   11.1093    5.6873  O     
21   H        12.9070   10.2431    1.1527  H     
22   H        11.1984   10.5249    1.3894  H     
23   H        11.8604    8.3184    0.6304  H     
24   H        12.6275    8.0416    2.0796  H     
25   H         9.7194    8.4010    1.7023  H     
26   H        10.6072    6.8938    1.9756  H     
27   H         9.7348    7.4100    4.0881  H     
28   H        11.4199    7.8656    4.2090  H     
29   H        10.6194   11.4941    3.8407  H     
30   H        11.4407   10.6892    5.1673  H     
31   H        13.0530    9.6972    3.6904  H     
32   H        12.8760   11.3810    3.2133  H     
33   H         4.4370   10.7961    1.0703  H     
34   H         6.7426   10.8307    0.4040  H     
35   H         8.4760   10.4033    1.9956  H     
36   H         6.0941    9.7368    6.1857  H     
37   H         3.7546    9.6914    6.7168  H     
38   H         2.7129   10.4383    2.8192  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	| 6.4477
  Crash		| -0.7909
  Polar		| 2.9663
  FragIndex	| 1
  FragRMSD	| 0.941

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


@<TRIPOS>ATOM
1    C        10.6839    7.3273    2.1579  C     
2    C        12.8654    8.4917    2.6016  C     
3    C        12.4108    9.9667    2.5608  C     
4    C        11.1009   10.2622    3.3396  C     
5    C         9.6797    8.5113    2.0628  C     
6    N        12.0596    7.6371    1.7106  N     
7    C         9.6023    9.0814    0.6166  C     
8    N         9.8873    9.4959    3.1232  N     
9    S         8.6220    9.7619    4.2362  S     
10   O         8.3556    8.3494    4.9174  O     
11   O         9.1143   10.7069    5.4137  O     
12   C         7.1490   10.4284    3.5554  C     
13   C         4.9150   10.7151    1.8571  C     
14   C         7.2965   10.8829    2.2294  C     
15   C         6.1922   11.0276    1.3840  C     
16   C         5.8389   10.3289    4.1246  C     
17   C         4.7323   10.3760    3.2132  C     
18   C         3.4285   10.1146    3.6757  C     
19   C         4.1916    9.9876    5.9060  C     
20   C         5.5315   10.2379    5.5221  C     
21   C         6.4686   10.6308    6.6091  C     
22   N         3.2041    9.9221    4.9900  N     
23   H        10.6987    6.9272    3.1760  H     
24   H        10.3290    6.5230    1.5072  H     
25   H        13.8950    8.4429    2.2430  H     
26   H        12.8572    8.1089    3.6250  H     
27   H        13.2058   10.5721    3.0093  H     
28   H        12.3215   10.2999    1.5259  H     
29   H        11.3771   10.1667    4.3946  H     
30   H        10.8589   11.3161    3.1629  H     
31   H         8.6914    8.0507    2.1989  H     
32   H        12.5437    6.7446    1.5965  H     
33   H        12.0186    8.0812    0.7891  H     
34   H        10.4851    9.6603    0.3581  H     
35   H         8.7301    9.7148    0.4888  H     
36   H         9.5022    8.2710   -0.1060  H     
37   H         4.1210   10.7738    1.2124  H     
38   H         8.2269   11.0480    1.8385  H     
39   H         6.3287   11.2977    0.4075  H     
40   H         2.6297   10.0986    3.0396  H     
41   H         3.9244    9.9088    6.8885  H     
42   H         7.2042    9.8580    6.7967  H     
43   H         5.9595   10.8201    7.5561  H     
44   H         6.9681   11.5613    6.3390  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	| 8.1465
  Crash		| -1.6905
  Polar		| 3.8587
  FragIndex	| 1
  FragRMSD	| 0.858