@<TRIPOS>MOLECULE
BindingDB_11313
 28 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.6989    4.3505   20.0590  C     
2    C        25.8134    4.0319   18.1770  C     
3    C        25.7854    3.2639   19.3469  C     
4    C        24.7398    3.4106   20.2634  C     
5    C        24.8139    5.0169   17.9363  C     
6    C        23.8087    5.2356   18.9346  C     
7    C        23.0065    6.3824   18.7984  C     
8    C        24.7835    5.7728   16.7421  C     
9    C        23.7902    6.7465   16.5126  C     
10   C        22.8957    7.0603   17.5777  C     
11   C        21.9063    8.0566   17.3964  C     
12   C        21.7857    8.7347   16.1741  C     
13   C        22.6632    8.4365   15.1226  C     
14   C        23.6669    7.4631   15.2823  C     
15   O        22.6551    6.9759   19.8131  O     
16   O        25.6287    5.5762   15.8812  O     
17   O        26.8201    3.7521   17.3072  O     
18   N        22.6170    4.3023   20.9045  N     
19   O        21.4528    4.7909   20.5816  O     
20   O        22.5865    3.6275   21.9011  O     
21   O        24.4943    7.2294   14.2245  O     
22   H        26.5001    2.5505   19.5122  H     
23   H        24.7172    2.7640   21.0581  H     
24   H        21.2545    8.2949   18.1476  H     
25   H        21.0604    9.4460   16.0560  H     
26   H        22.5657    8.9335   14.2333  H     
27   H        27.5033    4.4401   17.4581  H     
28   H        24.5601    8.0711   13.7187  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   18 am
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    8 1
    10    6    7 1
    11    7   10 1
    12    7   15 2
    13    8    9 1
    14    8   16 2
    15    9   10 2
    16    9   14 1
    17   10   11 1
    18   11   12 2
    19   12   13 1
    20   13   14 2
    21   14   21 1
    22   18   19 1
    23   18   20 2
    24    3   22 1
    25    4   23 1
    26   11   24 1
    27   12   25 1
    28   13   26 1
    29   17   27 1
    30   21   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 3.8902
  Crash		| -0.6993
  Polar		| 1.8481
  FragIndex	| 1
  FragRMSD	| 0.658

@<TRIPOS>MOLECULE
BindingDB_11315
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        25.7799    4.0260   18.2090  C     
2    C        23.8623    4.5225   20.2146  C     
3    C        24.8521    3.5449   20.4025  C     
4    C        25.8149    3.3150   19.4198  C     
5    C        23.8240    5.2975   19.0120  C     
6    C        24.7609    4.9982   17.9661  C     
7    C        22.9089    6.3512   18.8215  C     
8    C        22.8377    7.0751   17.6148  C     
9    C        23.7340    6.7367   16.5515  C     
10   C        23.6882    7.4953   15.3435  C     
11   C        22.7583    8.5343   15.1800  C     
12   C        21.8736    8.8554   16.2100  C     
13   C        21.9017    8.1348   17.4164  C     
14   O        22.2262    6.7213   19.7653  O     
15   N        26.7794    3.7284   17.3510  N     
16   O        21.0277    8.5176   18.3991  O     
17   N        22.9824    4.6269   21.2330  N     
18   C        24.6475    5.6817   16.7379  C     
19   O        25.2804    5.2791   15.7728  O     
20   O        24.5474    7.2657   14.3031  O     
21   H        24.8833    2.9928   21.2617  H     
22   H        26.5429    2.6156   19.5979  H     
23   H        22.7360    9.0654   14.3045  H     
24   H        21.2154    9.6293   16.0922  H     
25   H        26.8691    4.1898   16.5081  H     
26   H        27.4389    3.0601   17.5966  H     
27   H        20.1841    8.7741   17.9418  H     
28   H        22.2370    5.2412   21.1984  H     
29   H        23.0831    4.0513   22.0090  H     
30   H        24.7441    8.1571   13.9259  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    1   15 1
     4    2    3 2
     5    2    5 1
     6    2   17 1
     7    3    4 1
     8    5    6 2
     9    5    7 1
    10    6   18 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   18 1
    17   10   11 2
    18   10   20 1
    19   11   12 1
    20   12   13 2
    21   13   16 1
    22   18   19 2
    23    3   21 1
    24    4   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   15   26 1
    29   16   27 1
    30   17   28 1
    31   17   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5220
  Crash		| -0.6529
  Polar		| 1.2629
  FragIndex	| 1
  FragRMSD	| 0.223

@<TRIPOS>MOLECULE
BindingDB_11316
 26 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        23.9284    4.6565   20.2035  C     
2    C        25.8083    4.0714   18.2009  C     
3    C        25.8487    3.3921   19.4323  C     
4    C        24.9061    3.6780   20.4290  C     
5    C        24.8097    5.0582   17.9454  C     
6    C        23.8645    5.3614   18.9730  C     
7    C        24.7248    5.7503   16.7185  C     
8    C        23.7641    6.7619   16.5059  C     
9    C        22.8331    7.0509   17.5490  C     
10   C        21.8550    8.0563   17.3455  C     
11   C        21.7911    8.7729   16.1399  C     
12   C        22.7089    8.5024   15.1224  C     
13   C        23.6935    7.5130   15.2907  C     
14   O        25.5024    5.4652   15.8157  O     
15   O        24.5592    7.3197   14.2571  O     
16   C        22.8932    6.3453   18.7615  C     
17   O        22.1008    6.6184   19.6600  O     
18   O        26.7380    3.7007   17.2818  O     
19   H        23.2603    4.8434   20.9564  H     
20   H        26.5582    2.6740   19.6047  H     
21   H        24.9262    3.1675   21.3159  H     
22   H        21.1647    8.2813   18.0709  H     
23   H        21.0687    9.4899   16.0134  H     
24   H        22.6539    9.0286   14.2461  H     
25   H        24.5777    8.1563   13.7467  H     
26   H        27.4934    4.3174   17.3919  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   18 1
     6    3    4 1
     7    5    6 2
     8    5    7 1
     9    6   16 1
    10    7    8 1
    11    7   14 2
    12    8    9 2
    13    8   13 1
    14    9   10 1
    15    9   16 1
    16   10   11 2
    17   11   12 1
    18   12   13 2
    19   13   15 1
    20   16   17 2
    21    1   19 1
    22    3   20 1
    23    4   21 1
    24   10   22 1
    25   11   23 1
    26   12   24 1
    27   15   25 1
    28   18   26 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9023
  Crash		| -0.6815
  Polar		| 2.0618
  FragIndex	| 1
  FragRMSD	| 0.217

@<TRIPOS>MOLECULE
BindingDB_11318
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.3298    8.3461   17.7514  C     
2    C        23.9006    7.7139   15.5126  C     
3    C        23.0934    8.8708   15.5138  C     
4    C        22.3043    9.2020   16.6337  C     
5    C        23.9433    6.8578   16.6538  C     
6    C        23.1418    7.1828   17.7907  C     
7    C        24.7689    5.7181   16.7251  C     
8    C        24.8582    4.9375   17.8987  C     
9    C        24.0337    5.2688   19.0204  C     
10   C        24.1071    4.4758   20.1967  C     
11   C        24.9794    3.3773   20.2752  C     
12   C        25.8179    3.0779   19.1964  C     
13   C        25.7627    3.8446   18.0236  C     
14   O        25.4231    5.3905   15.7433  O     
15   O        26.6171    3.4792   17.0349  O     
16   O        24.6449    7.4723   14.3866  O     
17   C        21.4719   10.4220   16.6841  C     
18   C        23.1831    6.3814   18.9414  C     
19   O        22.5080    6.6880   19.9213  O     
20   O        25.0361    2.5974   21.3791  O     
21   H        21.7621    8.6022   18.5646  H     
22   H        23.0903    9.4862   14.6941  H     
23   H        23.5312    4.6869   21.0126  H     
24   H        26.4639    2.2823   19.2649  H     
25   H        27.4067    4.0555   17.1604  H     
26   H        24.6688    8.2934   13.8663  H     
27   H        20.4213   10.1339   16.7408  H     
28   H        21.6188   11.0614   15.8163  H     
29   H        21.7247   11.0113   17.5671  H     
30   H        24.1917    2.0949   21.3602  H     
@<TRIPOS>BOND
     1    1    4 2
     2    1    6 1
     3    2    3 2
     4    2    5 1
     5    2   16 1
     6    3    4 1
     7    4   17 1
     8    5    6 2
     9    5    7 1
    10    6   18 1
    11    7    8 1
    12    7   14 2
    13    8    9 2
    14    8   13 1
    15    9   10 1
    16    9   18 1
    17   10   11 2
    18   11   12 1
    19   11   20 1
    20   12   13 2
    21   13   15 1
    22   18   19 2
    23    1   21 1
    24    3   22 1
    25   10   23 1
    26   12   24 1
    27   15   25 1
    28   16   26 1
    29   17   27 1
    30   17   28 1
    31   17   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5542
  Crash		| -0.9627
  Polar		| 2.8546
  FragIndex	| 1
  FragRMSD	| 0.400