@<TRIPOS>MOLECULE
BindingDB_6645
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.5567    0.7156   10.6243  C     
2    C         2.8959    0.9096   10.9460  C     
3    C         0.6784    1.2873    9.3448  C     
4    C         1.9672    1.6686    8.9008  C     
5    C         1.0172    2.4761    6.8714  C     
6    C        -0.2788    2.1432    7.3361  C     
7    N         3.0352    1.4733    9.7150  N     
8    N         3.9795    0.7045   11.7071  N     
9    N         1.6652    0.5456   11.3922  N     
10   N         2.0953    2.2373    7.6712  N     
11   N        -0.3850    1.5293    8.5434  N     
12   O        -0.6614    0.3665   11.0973  O     
13   C        -1.5213    2.4591    6.5930  C     
14   N        -1.8114    3.8547    6.4762  N     
15   C        -1.9107    4.7889    7.4627  C     
16   C        -2.0799    6.8954    9.3969  C     
17   C        -1.6737    5.5938    9.7726  C     
18   C        -1.6164    4.5509    8.8259  C     
19   C        -2.3260    6.0880    7.0947  C     
20   C        -2.4238    7.1218    8.0448  C     
21   C        -2.1359    7.9425   10.3482  C     
22   O        -2.6595    9.1496   10.0361  O     
23   O        -1.6507    7.8012   11.6033  O     
24   H         1.1531    2.9247    5.9582  H     
25   H         3.8924    0.3328   12.6023  H     
26   H         4.8555    0.9120   11.3458  H     
27   H        -0.5392   -0.4828   11.5779  H     
28   H        -1.4500    2.0422    5.5817  H     
29   H        -2.3771    1.9848    7.0775  H     
30   H        -2.0345    4.1527    5.5774  H     
31   H        -1.4221    5.3942   10.7459  H     
32   H        -1.3366    3.6212    9.1475  H     
33   H        -2.5640    6.2933    6.1173  H     
34   H        -2.7410    8.0385    7.7298  H     
@<TRIPOS>BOND
     1    1    3 1
     2    1    9 2
     3    1   12 1
     4    2    7 2
     5    2    8 1
     6    2    9 1
     7    3    4 2
     8    3   11 1
     9    4    7 1
    10    4   10 1
    11    5    6 1
    12    5   10 2
    13    6   11 2
    14    6   13 1
    15   13   14 1
    16   14   15 1
    17   15   18 2
    18   15   19 1
    19   16   17 2
    20   16   20 1
    21   16   21 1
    22   17   18 1
    23   19   20 2
    24   21   22 2
    25   21   23 1
    26    5   24 1
    27    8   25 1
    28    8   26 1
    29   12   27 1
    30   13   28 1
    31   13   29 1
    32   14   30 1
    33   17   31 1
    34   18   32 1
    35   19   33 1
    36   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 10.4142
  Crash		| -0.5891
  Polar		| 7.1754
  FragIndex	| 1
  FragRMSD	| 0.259

@<TRIPOS>MOLECULE
BindingDB_50108006
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         2.0000    1.8660    8.9879  C     
2    C         0.7859    1.2618    9.2990  C     
3    N         3.0782    1.7277    9.7973  N     
4    N         1.7616    0.4993   11.3262  N     
5    C         0.6577    0.6151   10.5353  C     
6    C         2.9689    1.0131   10.9539  C     
7    N         1.8089    2.5524    7.8530  N     
8    C        -0.0719    1.5691    8.2864  C     
9    C         0.5526    2.4035    7.4574  C     
10   C        -2.2316    7.9668   10.3761  C     
11   O        -0.5608    0.2105   10.9603  O     
12   C        -2.0069    6.9280    9.4425  C     
13   O        -2.8122    9.1311   10.0046  O     
14   N        -1.2061    3.9497    6.5528  N     
15   N         4.0352    0.8728   11.7567  N     
16   C        -0.0497    3.1190    6.3493  C     
17   C        -2.3157    7.0935    8.0723  C     
18   C        -1.4711    5.6899    9.8520  C     
19   C        -1.4723    4.8463    7.5418  C     
20   O        -1.8408    7.8600   11.6682  O     
21   C        -1.1861    4.6756    8.9142  C     
22   C        -2.0915    6.0582    7.1482  C     
23   H         2.4660    3.1252    7.4249  H     
24   H        -1.0157    1.2728    8.2126  H     
25   H        -0.4035   -0.5604   11.5485  H     
26   H        -1.6988    4.1088    5.7255  H     
27   H         3.9435    0.4286   12.6138  H     
28   H         4.8930    1.2487   11.5000  H     
29   H         0.7095    3.7658    5.9004  H     
30   H        -0.3144    2.3773    5.5989  H     
31   H        -2.6909    7.9809    7.7293  H     
32   H        -1.2635    5.5056   10.8396  H     
33   H        -0.8176    3.7886    9.2682  H     
34   H        -2.3091    6.2336    6.1618  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    3 2
     3    1    7 1
     4    2    5 2
     5    2    8 1
     6    3    6 1
     7    4    5 1
     8    4    6 2
     9    5   11 1
    10    6   15 1
    11    7    9 1
    12    8    9 2
    13    9   16 1
    14   10   12 1
    15   10   13 2
    16   10   20 1
    17   12   17 2
    18   12   18 1
    19   14   16 1
    20   14   19 1
    21   17   22 1
    22   18   21 2
    23   19   21 1
    24   19   22 2
    25    7   23 1
    26    8   24 1
    27   11   25 1
    28   14   26 1
    29   15   27 1
    30   15   28 1
    31   16   29 1
    32   16   30 1
    33   17   31 1
    34   18   32 1
    35   21   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7304
  Crash		| -1.2363
  Polar		| 4.6766
  FragIndex	| 1
  FragRMSD	| 0.768