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


@<TRIPOS>ATOM
1    C        23.4439    8.4360   15.5922  C     
2    C        21.5242   10.2015   16.7587  C     
3    C        22.0459   10.4623   15.4875  C     
4    C        22.9780    9.5935   14.9170  C     
5    C        22.0146    9.1060   17.5280  C     
6    C        23.0243    8.2506   16.9584  C     
7    C        23.6385    7.3252   17.8270  C     
8    C        21.5698    8.8789   18.8549  C     
9    C        22.0378    7.8027   19.6139  C     
10   C        23.1120    7.0267   19.0907  C     
11   C        23.6614    5.9867   19.8816  C     
12   C        23.1356    5.6761   21.1435  C     
13   C        22.0502    6.4081   21.6407  C     
14   C        21.5070    7.4672   20.8931  C     
15   O        24.8012    7.0040   17.6258  O     
16   O        20.8458    9.7020   19.3984  O     
17   O        20.5415   11.0336   17.1972  O     
18   N        24.2351    7.5714   14.8716  N     
19   O        24.4547    6.3317   15.1997  O     
20   O        24.6627    7.8252   13.7748  O     
21   O        20.4532    8.1070   21.4694  O     
22   H        21.7159   11.2684   14.9552  H     
23   H        23.2750    9.7979   13.9571  H     
24   H        24.4537    5.4370   19.5470  H     
25   H        23.5391    4.9198   21.6982  H     
26   H        21.6586    6.1659   22.5514  H     
27   H        20.8612   11.9549   17.0267  H     
28   H        19.7864    8.2181   20.7561  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	| 3.4123
  Crash		| -2.0695
  Polar		| 1.2340
  FragIndex	| 1
  FragRMSD	| 0.512

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


@<TRIPOS>ATOM
1    C        21.5744   10.1846   16.8310  C     
2    C        23.4996    8.3765   15.8318  C     
3    C        23.0954    9.4849   15.0643  C     
4    C        22.1555   10.3906   15.5645  C     
5    C        22.9715    8.1742   17.1463  C     
6    C        21.9633    9.0679   17.6316  C     
7    C        23.4130    7.1400   17.9939  C     
8    C        22.9504    7.0072   19.3222  C     
9    C        21.9190    7.8748   19.7861  C     
10   C        21.4103    7.7157   21.1134  C     
11   C        21.8709    6.6729   21.9340  C     
12   C        22.8886    5.8253   21.4857  C     
13   C        23.4492    6.0053   20.2109  C     
14   O        24.3009    6.3745   17.6037  O     
15   N        20.6780   11.1326   17.2003  N     
16   O        24.4491    5.1364   19.8918  O     
17   N        24.3867    7.5712   15.2059  N     
18   C        21.3915    8.8355   18.8976  C     
19   O        20.2899    9.2976   19.1422  O     
20   O        20.4419    8.5028   21.6645  O     
21   H        23.4767    9.6454   14.1266  H     
22   H        21.8829   11.1902   14.9848  H     
23   H        21.4602    6.5208   22.8583  H     
24   H        23.2113    5.0643   22.0886  H     
25   H        20.2011   11.0625   18.0339  H     
26   H        20.5246   11.8957   16.6263  H     
27   H        25.1804    5.7001   19.5565  H     
28   H        24.7234    6.7673   15.6309  H     
29   H        24.6835    7.7858   14.3095  H     
30   H        20.6625    9.4343   21.4353  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	| 6.0114
  Crash		| -0.8445
  Polar		| 1.3951
  FragIndex	| 1
  FragRMSD	| 0.299

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


@<TRIPOS>ATOM
1    C        21.5954   10.1382   16.8011  C     
2    C        23.5843    8.4224   15.8065  C     
3    C        23.1009    9.4842   15.0194  C     
4    C        22.1168   10.3473   15.5192  C     
5    C        23.0643    8.1934   17.1147  C     
6    C        22.0573    9.0747   17.6199  C     
7    C        23.4969    7.1312   17.9315  C     
8    C        23.0390    6.9824   19.2637  C     
9    C        22.0280    7.8701   19.7459  C     
10   C        21.5131    7.6962   21.0573  C     
11   C        21.9850    6.6701   21.8902  C     
12   C        22.9966    5.8145   21.4331  C     
13   C        23.5303    5.9703   20.1422  C     
14   O        24.2151    6.2648   17.4459  O     
15   O        24.5185    5.1042   19.8109  O     
16   C        21.5418    8.8886   18.9118  C     
17   O        20.6630    9.6392   19.3174  O     
18   O        24.5568    7.6730   15.2151  O     
19   H        20.8739   10.7836   17.1319  H     
20   H        23.4654    9.6402   14.0783  H     
21   H        21.7829   11.1288   14.9539  H     
22   H        20.7743    8.3069   21.4249  H     
23   H        21.5915    6.5432   22.8273  H     
24   H        23.3394    5.0697   22.0491  H     
25   H        25.2419    5.6566   19.4493  H     
26   H        25.3298    7.6908   15.8179  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	| 3.6012
  Crash		| -0.5821
  Polar		| 0.0010
  FragIndex	| 1
  FragRMSD	| 0.331

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


@<TRIPOS>ATOM
1    C        21.6969    7.5600   21.2226  C     
2    C        23.7445    5.9865   20.1654  C     
3    C        23.3472    5.8056   21.5100  C     
4    C        22.2762    6.5595   22.0319  C     
5    C        23.0740    6.9092   19.3108  C     
6    C        22.0657    7.7551   19.8667  C     
7    C        23.3822    7.0482   17.9522  C     
8    C        22.9247    8.1524   17.2011  C     
9    C        21.9037    8.9829   17.7806  C     
10   C        21.4196   10.1049   17.0584  C     
11   C        21.9288   10.4422   15.7953  C     
12   C        22.9481    9.6598   15.2313  C     
13   C        23.4332    8.5275   15.9171  C     
14   O        24.1428    6.2306   17.4020  O     
15   O        24.4482    7.8702   15.3019  O     
16   O        24.7731    5.1975   19.7373  O     
17   C        21.7009    6.2979   23.3833  C     
18   C        21.4309    8.7070   19.0598  C     
19   O        20.4558    9.2998   19.5073  O     
20   O        21.4252   11.5127   15.1346  O     
21   H        20.9675    8.1438   21.6343  H     
22   H        23.8141    5.1165   22.0882  H     
23   H        20.6736   10.7096   17.4359  H     
24   H        23.3219    9.9114   14.2998  H     
25   H        25.2326    8.4974   15.3147  H     
26   H        25.2806    5.7687   19.0889  H     
27   H        21.7678    7.1875   24.0084  H     
28   H        22.1928    5.4795   23.9037  H     
29   H        20.6460    6.0316   23.2837  H     
30   H        21.3782   12.2493   15.7990  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	| 4.2309
  Crash		| -1.3558
  Polar		| 1.1163
  FragIndex	| 1
  FragRMSD	| 0.335