@<TRIPOS>MOLECULE
BindingDB_50077537
 28 29 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6694   42.3627   13.6862  N     
2    C        26.9862   43.1144   14.7833  C     
3    C        27.4817   43.2868   17.2013  C     
4    N        28.2170   43.4777   19.5714  N     
5    C        27.6210   44.6930   17.0816  C     
6    C        27.1573   42.5196   16.0587  C     
7    O        26.4995   42.8893   12.5019  O     
8    O        26.5242   41.1691   13.7353  O     
9    C        27.6451   42.6085   18.5154  C     
10   C        27.9390   45.5492   18.2588  C     
11   C        27.1572   44.5161   14.6860  C     
12   C        27.4733   45.2929   15.8147  C     
13   C        27.6566   44.8501   19.6182  C     
14   O        27.6436   45.1921   22.0504  O     
15   C        28.2516   45.6186   20.8298  C     
16   H        28.0725   43.0179   20.4736  H     
17   H        29.2238   43.5515   19.4093  H     
18   H        27.0497   41.5067   16.1631  H     
19   H        26.6762   42.2285   18.8476  H     
20   H        28.3204   41.7571   18.4039  H     
21   H        28.9935   45.8355   18.1957  H     
22   H        27.3352   46.4602   18.2175  H     
23   H        27.0555   44.9934   13.7863  H     
24   H        27.5850   46.3037   15.7070  H     
25   H        26.5718   44.7896   19.7488  H     
26   H        27.5274   44.2177   21.9825  H     
27   H        29.3329   45.4697   20.8865  H     
28   H        28.0695   46.6932   20.7398  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   15 1
    16   14   15 1
    17    4   16 1
    18    4   17 1
    19    6   18 1
    20    9   19 1
    21    9   20 1
    22   10   21 1
    23   10   22 1
    24   11   23 1
    25   12   24 1
    26   13   25 1
    27   14   26 1
    28   15   27 1
    29   15   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5580
  Crash		| -0.3527
  Polar		| 3.6373
  FragIndex	| 1
  FragRMSD	| 0.041

@<TRIPOS>MOLECULE
BindingDB_50077538
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6594   42.3038   13.6929  N     
2    C        26.9772   43.0620   14.7824  C     
3    C        27.3455   43.2744   17.2196  C     
4    N        27.4241   43.6213   19.6814  N     
5    C        27.6735   44.6448   17.0578  C     
6    C        27.0197   42.5005   16.0855  C     
7    O        26.6010   42.7967   12.4864  O     
8    O        26.4136   41.1283   13.7728  O     
9    C        27.3456   42.6431   18.5689  C     
10   C        28.0758   45.4895   18.2163  C     
11   C        27.2787   44.4407   14.6526  C     
12   C        27.6228   45.2198   15.7681  C     
13   C        28.4308   44.6798   19.4922  C     
14   C        28.5065   45.5550   20.7678  C     
15   H        26.5123   44.0658   19.7828  H     
16   H        27.6508   43.1262   20.5493  H     
17   H        26.7942   41.5102   16.2152  H     
18   H        26.4162   42.0907   18.7065  H     
19   H        28.1748   41.9312   18.6364  H     
20   H        28.9633   46.0610   17.9430  H     
21   H        27.2546   46.1847   18.4255  H     
22   H        27.2702   44.8905   13.7337  H     
23   H        27.8688   46.2056   15.6319  H     
24   H        29.4100   44.2090   19.3589  H     
25   H        27.5430   46.0300   20.9709  H     
26   H        29.2671   46.3281   20.6569  H     
27   H        28.7694   44.9314   21.6248  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   14 1
    16    4   15 1
    17    4   16 1
    18    6   17 1
    19    9   18 1
    20    9   19 1
    21   10   20 1
    22   10   21 1
    23   11   22 1
    24   12   23 1
    25   13   24 1
    26   14   25 1
    27   14   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4461
  Crash		| -0.2829
  Polar		| 2.3710
  FragIndex	| 1
  FragRMSD	| 0.348

@<TRIPOS>MOLECULE
BindingDB_50077543
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6700   42.3532   13.7284  N     
2    C        26.9721   43.1193   14.8182  C     
3    C        27.4446   43.3295   17.2384  C     
4    N        28.2241   43.5400   19.5940  N     
5    C        27.5818   44.7349   17.1020  C     
6    C        27.1275   42.5456   16.1057  C     
7    O        26.5182   42.8613   12.5344  O     
8    O        26.5188   41.1610   13.7934  O     
9    C        27.6127   42.6708   18.5623  C     
10   C        27.9003   45.6038   18.2691  C     
11   C        27.1466   44.5196   14.7013  C     
12   C        27.4505   45.3134   15.8212  C     
13   C        27.6685   44.9104   19.6436  C     
14   C        28.3087   45.6915   20.8172  C     
15   H        28.1053   43.0914   20.5040  H     
16   H        29.2260   43.6097   19.4007  H     
17   H        27.0166   41.5350   16.2248  H     
18   H        26.6371   42.3259   18.9159  H     
19   H        28.2623   41.7983   18.4572  H     
20   H        28.9466   45.9097   18.1775  H     
21   H        27.2791   46.5035   18.2340  H     
22   H        27.0532   44.9815   13.7932  H     
23   H        27.5685   46.3230   15.6966  H     
24   H        26.5910   44.8459   19.8336  H     
25   H        28.0939   45.1890   21.7634  H     
26   H        27.9007   46.7039   20.8635  H     
27   H        29.3933   45.7534   20.6960  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   14 1
    16    4   15 1
    17    4   16 1
    18    6   17 1
    19    9   18 1
    20    9   19 1
    21   10   20 1
    22   10   21 1
    23   11   22 1
    24   12   23 1
    25   13   24 1
    26   14   25 1
    27   14   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8655
  Crash		| -0.1310
  Polar		| 2.3198
  FragIndex	| 1
  FragRMSD	| 0.056

@<TRIPOS>MOLECULE
BindingDB_50077544
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6854   42.3451   13.7127  N     
2    C        26.9887   43.1099   14.8033  C     
3    C        27.4595   43.3187   17.2238  C     
4    N        28.2357   43.5281   19.5800  N     
5    C        27.5941   44.7250   17.0879  C     
6    C        27.1460   42.5356   16.0897  C     
7    O        26.5307   42.8547   12.5199  O     
8    O        26.5321   41.1529   13.7769  O     
9    C        27.6240   42.6601   18.5479  C     
10   C        27.9128   45.5932   18.2556  C     
11   C        27.1598   44.5108   14.6876  C     
12   C        27.4618   45.3043   15.8078  C     
13   C        27.6798   44.8985   19.6294  C     
14   C        28.3198   45.6772   20.8044  C     
15   H        28.1153   43.0788   20.4901  H     
16   H        29.2379   43.5987   19.3873  H     
17   H        27.0398   41.5241   16.2071  H     
18   H        26.6470   42.3193   18.9000  H     
19   H        28.2706   41.7857   18.4444  H     
20   H        28.9595   45.8974   18.1646  H     
21   H        27.2937   46.4941   18.2212  H     
22   H        27.0654   44.9730   13.7802  H     
23   H        27.5779   46.3141   15.6839  H     
24   H        26.6024   44.8345   19.8181  H     
25   H        28.1111   45.1692   21.7487  H     
26   H        27.9064   46.6868   20.8569  H     
27   H        29.4031   45.7459   20.6802  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   14 1
    16    4   15 1
    17    4   16 1
    18    6   17 1
    19    9   18 1
    20    9   19 1
    21   10   20 1
    22   10   21 1
    23   11   22 1
    24   12   23 1
    25   13   24 1
    26   14   25 1
    27   14   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8531
  Crash		| -0.1224
  Polar		| 2.3084
  FragIndex	| 1
  FragRMSD	| 0.048

@<TRIPOS>MOLECULE
BindingDB_50080523
 28 29 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.7930   41.3398   13.5385  N     
2    N        26.6938   40.1880   13.4432  N     
3    N        27.4703   43.5898   19.7195  N     
4    C        27.5666   43.3008   17.2649  C     
5    C        27.7987   44.7014   17.1540  C     
6    N        26.9139   42.5259   13.6623  N     
7    C        27.5932   42.6325   18.5922  C     
8    C        27.3044   42.5527   16.0840  C     
9    C        28.1766   45.5159   18.3328  C     
10   C        27.6494   45.3319   15.8951  C     
11   C        27.1791   43.1842   14.8169  C     
12   C        28.4712   44.6898   19.6259  C     
13   C        27.3378   44.5827   14.7403  C     
14   F        28.3365   44.8828   22.0356  F     
15   C        28.5405   45.6224   20.8690  C     
16   H        26.9100   39.6362   14.1676  H     
17   H        26.5149   43.9864   19.7150  H     
18   H        27.6292   43.0879   20.5960  H     
19   H        28.5158   42.0585   18.6676  H     
20   H        26.7610   41.9429   18.6438  H     
21   H        27.1756   41.5356   16.1477  H     
22   H        29.0748   46.0993   18.0945  H     
23   H        27.3492   46.2274   18.5083  H     
24   H        27.7933   46.3473   15.8011  H     
25   H        29.4734   44.2317   19.5344  H     
26   H        27.2382   45.0746   13.8337  H     
27   H        29.5567   46.0847   20.9408  H     
28   H        27.7901   46.4386   20.8257  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 2
     3    3    7 1
     4    3   12 1
     5    4    5 1
     6    4    7 1
     7    4    8 2
     8    5    9 1
     9    5   10 2
    10    6   11 1
    11    8   11 1
    12    9   12 1
    13   10   13 1
    14   11   13 2
    15   12   15 1
    16   14   15 1
    17    2   16 1
    18    3   17 1
    19    3   18 1
    20    7   19 1
    21    7   20 1
    22    8   21 1
    23    9   22 1
    24    9   23 1
    25   10   24 1
    26   12   25 1
    27   13   26 1
    28   15   27 1
    29   15   28 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.7093
  Crash		| -0.7592
  Polar		| 2.3898
  FragIndex	| 1
  FragRMSD	| 0.387

@<TRIPOS>MOLECULE
BindingDB_50160904
 31 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.6212   42.3448   13.7331  N     
2    C        26.9495   43.1091   14.8164  C     
3    C        27.4338   43.3246   17.2337  C     
4    N        28.2889   43.5113   19.5551  N     
5    C        27.6283   44.7211   17.0830  C     
6    C        27.0838   42.5428   16.1092  C     
7    O        26.4870   42.8478   12.5349  O     
8    O        26.4324   41.1584   13.8075  O     
9    C        27.5780   42.6761   18.5626  C     
10   C        27.9888   45.5905   18.2374  C     
11   C        27.1734   44.5012   14.6864  C     
12   C        27.5106   45.2931   15.7978  C     
13   C        27.8228   44.9154   19.6343  C     
14   C        28.6001   45.6310   20.7820  C     
15   O        28.1475   47.9861   20.1840  O     
16   C        28.0296   47.0044   21.2081  C     
17   H        28.1760   43.0723   20.4710  H     
18   H        29.2842   43.5155   19.3187  H     
19   H        26.9347   41.5383   16.2381  H     
20   H        26.5866   42.4219   18.9461  H     
21   H        28.1500   41.7506   18.4616  H     
22   H        29.0271   45.9050   18.0993  H     
23   H        27.3561   46.4814   18.2129  H     
24   H        27.0945   44.9580   13.7746  H     
25   H        27.6652   46.2963   15.6632  H     
26   H        26.7587   44.9012   19.8965  H     
27   H        28.5733   44.9874   21.6670  H     
28   H        29.6509   45.7516   20.5028  H     
29   H        27.5262   48.6959   20.4550  H     
30   H        26.9780   46.8973   21.4827  H     
31   H        28.5782   47.3656   22.0804  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   14 1
    16   14   16 1
    17   15   16 1
    18    4   17 1
    19    4   18 1
    20    6   19 1
    21    9   20 1
    22    9   21 1
    23   10   22 1
    24   10   23 1
    25   11   24 1
    26   12   25 1
    27   13   26 1
    28   14   27 1
    29   14   28 1
    30   15   29 1
    31   16   30 1
    32   16   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 9.7120
  Crash		| -0.3949
  Polar		| 4.5389
  FragIndex	| 1
  FragRMSD	| 0.143

@<TRIPOS>MOLECULE
BindingDB_50160905
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.4670   42.4126   13.6013  N     
2    C        26.8978   43.1295   14.6801  C     
3    C        27.5398   43.2424   17.0644  C     
4    N        28.5325   43.3201   19.3213  N     
5    C        27.7654   44.6374   16.9621  C     
6    C        27.0964   42.5087   15.9413  C     
7    O        26.2227   42.9675   12.4450  O     
8    O        26.2779   41.2241   13.6433  O     
9    C        27.7473   42.5296   18.3512  C     
10   C        28.1951   45.4525   18.1445  C     
11   C        27.1640   44.5125   14.5882  C     
12   C        27.5959   45.2563   15.7035  C     
13   C        28.0560   44.7125   19.5123  C     
14   O        28.2350   48.5299   20.0953  O     
15   C        28.7597   47.9051   21.2565  C     
16   C        28.8423   45.3302   20.7124  C     
17   C        28.1593   46.4948   21.4889  C     
18   H        28.5151   42.8357   20.2186  H     
19   H        29.5009   43.3589   18.9938  H     
20   H        26.9192   41.5091   16.0451  H     
21   H        26.7773   42.2712   18.7807  H     
22   H        28.3014   41.6052   18.1762  H     
23   H        29.2386   45.7431   17.9884  H     
24   H        27.5876   46.3580   18.1855  H     
25   H        27.0527   45.0010   13.6937  H     
26   H        27.7776   46.2590   15.5904  H     
27   H        26.9938   44.6699   19.7896  H     
28   H        27.3944   48.9385   20.4002  H     
29   H        29.8491   47.8451   21.1650  H     
30   H        28.5317   48.5442   22.1118  H     
31   H        28.9790   44.5195   21.4431  H     
32   H        29.8434   45.6185   20.3908  H     
33   H        28.2743   46.2849   22.5606  H     
34   H        27.0889   46.5153   21.2879  H     
@<TRIPOS>BOND
     1    1    2 am
     2    1    7 1
     3    1    8 2
     4    2    6 1
     5    2   11 2
     6    3    5 1
     7    3    6 2
     8    3    9 1
     9    4    9 1
    10    4   13 1
    11    5   10 1
    12    5   12 2
    13   10   13 1
    14   11   12 1
    15   13   16 1
    16   14   15 1
    17   15   17 1
    18   16   17 1
    19    4   18 1
    20    4   19 1
    21    6   20 1
    22    9   21 1
    23    9   22 1
    24   10   23 1
    25   10   24 1
    26   11   25 1
    27   12   26 1
    28   13   27 1
    29   14   28 1
    30   15   29 1
    31   15   30 1
    32   16   31 1
    33   16   32 1
    34   17   33 1
    35   17   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 8.9787
  Crash		| -0.7694
  Polar		| 4.1532
  FragIndex	| 1
  FragRMSD	| 0.338

@<TRIPOS>MOLECULE
BindingDB_50160906
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.7589   42.2637   13.6466  N     
2    N        27.0628   43.6977   19.6375  N     
3    C        27.0232   43.0307   14.7409  C     
4    C        28.0553   44.7892   19.5684  C     
5    C        27.2526   43.2910   17.1892  C     
6    C        27.6121   44.6513   17.0299  C     
7    C        27.0042   42.4904   16.0508  C     
8    C        27.9478   45.5221   18.1933  C     
9    O        26.7418   42.7454   12.4326  O     
10   O        26.5192   41.0838   13.7216  O     
11   C        29.4828   44.3020   19.9580  C     
12   C        27.1139   42.6957   18.5477  C     
13   C        27.3186   44.4072   14.6105  C     
14   C        27.6069   45.2060   15.7324  C     
15   F        30.1514   43.7329   18.9000  F     
16   F        30.2451   45.3484   20.4266  F     
17   H        27.1815   43.2181   20.5312  H     
18   H        26.1415   44.1330   19.6280  H     
19   H        27.7626   45.5103   20.3434  H     
20   H        26.7678   41.5069   16.1866  H     
21   H        27.1612   46.2804   18.2588  H     
22   H        28.8890   46.0438   17.9841  H     
23   H        29.4030   43.5495   20.7469  H     
24   H        27.9265   41.9908   18.7279  H     
25   H        26.1759   42.1471   18.6043  H     
26   H        27.3225   44.8550   13.6896  H     
27   H        27.8174   46.2009   15.5936  H     
@<TRIPOS>BOND
     1    1    3 am
     2    1    9 1
     3    1   10 2
     4    2    4 1
     5    2   12 1
     6    3    7 1
     7    3   13 2
     8    4    8 1
     9    4   11 1
    10    5    6 1
    11    5    7 2
    12    5   12 1
    13    6    8 1
    14    6   14 2
    15   11   15 1
    16   11   16 1
    17   13   14 1
    18    2   17 1
    19    2   18 1
    20    4   19 1
    21    7   20 1
    22    8   21 1
    23    8   22 1
    24   11   23 1
    25   12   24 1
    26   12   25 1
    27   13   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.7038
  Crash		| -0.4142
  Polar		| 3.3205
  FragIndex	| 1
  FragRMSD	| 0.667

@<TRIPOS>MOLECULE
BindingDB_50174115
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.7174   42.2610   13.7011  N     
2    C        28.4330   45.5535   20.8142  C     
3    N        27.3616   43.6179   19.6930  N     
4    C        28.3755   44.6789   19.5293  C     
5    C        27.0258   43.0251   14.7897  C     
6    C        27.3456   43.2616   17.2343  C     
7    C        27.6868   44.6267   17.0708  C     
8    C        27.0419   42.4753   16.0974  C     
9    C        28.0741   45.4792   18.2280  C     
10   O        26.6864   42.7499   12.4920  O     
11   O        26.4540   41.0908   13.7852  O     
12   C        27.3048   42.6391   18.5847  C     
13   C        27.3356   44.4010   14.6566  C     
14   C        27.6622   45.1879   15.7736  C     
15   F        29.4030   46.5207   20.7075  F     
16   F        27.2317   46.1650   21.0829  F     
17   F        28.7418   44.7752   21.9048  F     
18   H        27.5611   43.1112   20.5571  H     
19   H        26.4462   44.0623   19.7771  H     
20   H        29.3526   44.1942   19.4190  H     
21   H        26.8199   41.4835   16.2317  H     
22   H        27.2655   46.1931   18.4022  H     
23   H        28.9779   46.0328   17.9674  H     
24   H        28.1343   41.9332   18.6828  H     
25   H        26.3708   42.0860   18.7017  H     
26   H        27.3417   44.8456   13.7339  H     
27   H        27.9032   46.1736   15.6340  H     
@<TRIPOS>BOND
     1    1    5 am
     2    1   10 1
     3    1   11 2
     4    4    2 1
     5    2   15 1
     6    2   16 1
     7    2   17 1
     8    3    4 1
     9    3   12 1
    10    4    9 1
    11    5    8 1
    12    5   13 2
    13    6    7 1
    14    6    8 2
    15    6   12 1
    16    7    9 1
    17    7   14 2
    18   13   14 1
    19    3   18 1
    20    3   19 1
    21    4   20 1
    22    8   21 1
    23    9   22 1
    24    9   23 1
    25   12   24 1
    26   12   25 1
    27   13   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4144
  Crash		| -0.5768
  Polar		| 2.3449
  FragIndex	| 1
  FragRMSD	| 0.354

@<TRIPOS>MOLECULE
BindingDB_50174119
 30 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        27.1662   44.4968   14.6690  C     
2    C        26.9948   43.0952   14.7738  C     
3    C        27.1402   42.5148   16.0603  C     
4    C        27.4557   45.2846   15.7954  C     
5    C        27.5691   44.7015   17.0774  C     
6    C        27.4419   43.2958   17.2007  C     
7    C        27.6024   42.6245   18.5153  C     
8    N        28.1841   43.4848   19.5710  N     
9    C        27.6164   44.8518   19.6310  C     
10   C        27.8763   45.5548   18.2617  C     
11   C        28.2072   45.6612   20.8237  C     
12   C        27.9255   45.0431   22.2123  C     
13   N        26.7026   42.3315   13.6819  N     
14   O        26.5567   41.1369   13.7409  O     
15   O        26.5556   42.8437   12.4906  O     
16   H        27.0844   44.9606   13.7612  H     
17   H        27.0371   41.5044   16.1718  H     
18   H        27.5801   46.2944   15.6772  H     
19   H        26.6255   42.2644   18.8466  H     
20   H        28.2643   41.7630   18.4047  H     
21   H        28.0445   43.0110   20.4617  H     
22   H        29.1870   43.5632   19.3981  H     
23   H        26.5353   44.7728   19.7843  H     
24   H        28.9292   45.8407   18.1871  H     
25   H        27.2771   46.4701   18.2193  H     
26   H        29.2898   45.7567   20.7079  H     
27   H        27.7824   46.6659   20.8130  H     
28   H        26.8521   44.9333   22.3828  H     
29   H        28.3287   45.6877   22.9976  H     
30   H        28.3955   44.0620   22.2972  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    4 1
     3    2    3 1
     4    2   13 am
     5    3    6 2
     6    4    5 2
     7    5    6 1
     8    5   10 1
     9    6    7 1
    10    7    8 1
    11    8    9 1
    12    9   10 1
    13    9   11 1
    14   11   12 1
    15   13   14 2
    16   13   15 1
    17    1   16 1
    18    3   17 1
    19    4   18 1
    20    7   19 1
    21    7   20 1
    22    8   21 1
    23    8   22 1
    24    9   23 1
    25   10   24 1
    26   10   25 1
    27   11   26 1
    28   11   27 1
    29   12   28 1
    30   12   29 1
    31   12   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.9747
  Crash		| -0.4890
  Polar		| 2.3073
  FragIndex	| 1
  FragRMSD	| 0.024

@<TRIPOS>MOLECULE
BindingDB_50174130
 27 28 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    N        26.7042   42.3802   13.7194  N     
2    C        28.3113   45.7564   20.8192  C     
3    N        28.2872   43.5933   19.5747  N     
4    C        27.7159   44.9600   19.6220  C     
5    C        27.0221   43.1485   14.8030  C     
6    C        27.5087   43.3678   17.2198  C     
7    C        27.6425   44.7730   17.0759  C     
8    C        27.1840   42.5803   16.0921  C     
9    C        27.9463   45.6485   18.2413  C     
10   O        26.5447   42.8841   12.5248  O     
11   O        26.5406   41.1899   13.7916  O     
12   C        27.6830   42.7159   18.5459  C     
13   C        27.2042   44.5473   14.6776  C     
14   C        27.5133   45.3459   15.7925  C     
15   F        27.7653   47.0150   20.8979  F     
16   F        28.0370   45.1171   22.0053  F     
17   F        29.6761   45.8904   20.7183  F     
18   H        29.2886   43.6738   19.3816  H     
19   H        28.1713   43.1396   20.4841  H     
20   H        26.6347   44.8750   19.7870  H     
21   H        27.0686   41.5707   16.2168  H     
22   H        27.3143   46.5401   18.1960  H     
23   H        28.9886   45.9651   18.1495  H     
24   H        28.3389   41.8488   18.4445  H     
25   H        26.7109   42.3659   18.9019  H     
26   H        27.1110   45.0046   13.7673  H     
27   H        27.6343   46.3548   15.6628  H     
@<TRIPOS>BOND
     1    1    5 am
     2    1   10 1
     3    1   11 2
     4    4    2 1
     5    2   15 1
     6    2   16 1
     7    2   17 1
     8    3    4 1
     9    3   12 1
    10    4    9 1
    11    5    8 1
    12    5   13 2
    13    6    7 1
    14    6    8 2
    15    6   12 1
    16    7    9 1
    17    7   14 2
    18   13   14 1
    19    3   18 1
    20    3   19 1
    21    4   20 1
    22    8   21 1
    23    9   22 1
    24    9   23 1
    25   12   24 1
    26   12   25 1
    27   13   26 1
    28   14   27 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.2889
  Crash		| -0.1953
  Polar		| 2.2833
  FragIndex	| 1
  FragRMSD	| 0.091