@<TRIPOS>MOLECULE
BindingDB_12013
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4045    8.4731   15.3289  C     
2    C        -1.6093    9.2858   16.1512  C     
3    C        -0.3192    9.6582   15.7386  C     
4    C         0.1790    9.2035   14.5037  C     
5    C        -0.6106    8.3704   13.6877  C     
6    C        -1.9129    7.9892   14.0896  C     
7    C        -2.7794    7.1574   13.2163  C     
8    N        -3.2805    6.0115   13.9210  N     
9    C        -4.5356    5.7854   14.3031  C     
10   O        -5.3907    6.6275   14.0416  O     
11   C        -4.9000    4.6358   15.0159  C     
12   C        -3.9599    3.6479   15.4081  C     
13   C        -6.2530    4.4050   15.3636  C     
14   C        -6.6476    3.2419   16.0335  C     
15   C        -5.7036    2.2588   16.3936  C     
16   C        -4.3536    2.4733   16.0830  C     
17   S        -6.2112    0.7874   17.1658  S     
18   O        -5.9546   -0.4160   16.1644  O     
19   O        -5.3593    0.5722   18.4892  O     
20   N        -7.8488    0.7462   17.5047  N     
21   H        -3.3442    8.2266   15.6511  H     
22   H        -1.9701    9.6057   17.0496  H     
23   H         0.2552   10.2561   16.3381  H     
24   H         1.1174    9.4807   14.2011  H     
25   H        -0.2331    8.0659   12.7868  H     
26   H        -3.5816    7.7943   12.8327  H     
27   H        -2.2293    6.7839   12.3490  H     
28   H        -2.6170    5.3576   14.1793  H     
29   H        -2.9664    3.7568   15.2065  H     
30   H        -6.9878    5.0751   15.1259  H     
31   H        -7.6400    3.1261   16.2410  H     
32   H        -3.6427    1.7777   16.3307  H     
33   H        -8.2471   -0.0424   17.8867  H     
34   H        -8.3993    1.5269   17.3129  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    5    6 2
     7    6    7 1
     8    7    8 1
     9    8    9 am
    10    9   10 2
    11    9   11 1
    12   11   12 1
    13   11   13 2
    14   12   16 2
    15   13   14 1
    16   14   15 2
    17   15   16 1
    18   15   17 1
    19   17   18 2
    20   17   19 2
    21   17   20 am
    22    1   21 1
    23    2   22 1
    24    3   23 1
    25    4   24 1
    26    5   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5631
  Crash		| -1.3181
  Polar		| 2.6522
  FragIndex	| 1
  FragRMSD	| 0.889

@<TRIPOS>MOLECULE
BindingDB_12015
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4492    8.4945   15.3002  C     
2    C        -1.6573    9.3220   16.1173  C     
3    C        -0.3543    9.6723   15.7179  C     
4    C         0.1588    9.1690   14.5013  C     
5    C        -0.6264    8.3266   13.6977  C     
6    F         0.3679   10.4644   16.4573  F     
7    C        -1.9493    7.9901   14.0720  C     
8    C        -2.8103    7.1826   13.1828  C     
9    N        -3.2907    6.0206   13.8646  N     
10   C        -4.5586    5.7072   14.1229  C     
11   O        -5.4420    6.4635   13.7266  O     
12   C        -4.9262    4.5698   14.8559  C     
13   C        -6.2887    4.3399   15.2107  C     
14   C        -3.9831    3.5903   15.2722  C     
15   C        -4.3700    2.4507   15.9999  C     
16   C        -5.7217    2.2524   16.3279  C     
17   C        -6.6752    3.2125   15.9446  C     
18   S        -6.2060    0.8237   17.2041  S     
19   O        -5.8809   -0.4122   16.2564  O     
20   O        -5.3875    0.6662   18.5587  O     
21   N        -7.8561    0.7086   17.4900  N     
22   H        -3.4011    8.2676   15.6107  H     
23   H        -2.0291    9.6617   17.0124  H     
24   H         1.1094    9.4160   14.2137  H     
25   H        -0.2285    7.9727   12.8269  H     
26   H        -3.6131    7.8246   12.8191  H     
27   H        -2.2584    6.8331   12.3017  H     
28   H        -2.6227    5.3994   14.1769  H     
29   H        -7.0234    5.0052   14.9449  H     
30   H        -2.9912    3.6940   15.0477  H     
31   H        -3.6553    1.7700   16.2813  H     
32   H        -7.6601    3.0973   16.1925  H     
33   H        -8.2541   -0.1763   17.6211  H     
34   H        -8.4268    1.4871   17.3738  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    7 1
     3    2    3 1
     4    3    4 2
     5    3    6 1
     6    4    5 1
     7    5    7 2
     8    7    8 1
     9    8    9 1
    10    9   10 am
    11   10   11 2
    12   10   12 1
    13   12   13 1
    14   12   14 2
    15   13   17 2
    16   14   15 1
    17   15   16 2
    18   16   17 1
    19   16   18 1
    20   18   19 2
    21   18   20 2
    22   18   21 am
    23    1   22 1
    24    2   23 1
    25    4   24 1
    26    5   25 1
    27    8   26 1
    28    8   27 1
    29    9   28 1
    30   13   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   21   33 1
    35   21   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.5199
  Crash		| -1.2982
  Polar		| 2.5488
  FragIndex	| 1
  FragRMSD	| 0.884

@<TRIPOS>MOLECULE
BindingDB_12019
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4823    8.3997   15.3095  C     
2    C        -1.7054    9.1893   16.1840  C     
3    C        -0.4011    9.5659   15.8268  C     
4    C         0.1389    9.1551   14.5995  C     
5    C        -0.6220    8.3516   13.7285  C     
6    C        -1.9489    7.9712   14.0647  C     
7    C        -2.7911    7.1719   13.1302  C     
8    N        -3.2861    6.0019   13.7967  N     
9    C        -4.5189    5.8041   14.2586  C     
10   O        -5.3412    6.7017   14.1002  O     
11   C        -4.9035    4.6456   14.9631  C     
12   C        -6.2611    4.4307   15.3276  C     
13   C        -3.9686    3.6537   15.3664  C     
14   C        -4.3742    2.4984   16.0658  C     
15   C        -5.7283    2.2996   16.3899  C     
16   C        -6.6679    3.2851   16.0374  C     
17   S        -6.2290    0.8434   17.2082  S     
18   O        -5.9730   -0.3572   16.1998  O     
19   O        -5.3623    0.6107   18.5197  O     
20   N        -7.8637    0.7786   17.5764  N     
21   F        -0.0703    7.9963   12.5963  F     
22   F        -3.7069    8.0857   15.6549  F     
23   H        -2.0907    9.4950   17.0771  H     
24   H         0.1502   10.1490   16.4621  H     
25   H         1.0881    9.4436   14.3467  H     
26   H        -3.5854    7.8334   12.7732  H     
27   H        -2.2388    6.8473   12.2511  H     
28   H        -2.6336    5.3017   13.9599  H     
29   H        -6.9850    5.1176   15.0873  H     
30   H        -2.9750    3.7544   15.1489  H     
31   H        -3.6736    1.8022   16.3311  H     
32   H        -7.6551    3.1761   16.2824  H     
33   H        -8.2831   -0.0917   17.6979  H     
34   H        -8.4229    1.5548   17.4044  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    5    6 2
     8    5   21 1
     9    6    7 1
    10    7    8 1
    11    8    9 am
    12    9   10 2
    13    9   11 1
    14   11   12 1
    15   11   13 2
    16   12   16 2
    17   13   14 1
    18   14   15 2
    19   15   16 1
    20   15   17 1
    21   17   18 2
    22   17   19 2
    23   17   20 am
    24    2   23 1
    25    3   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4491
  Crash		| -1.5771
  Polar		| 2.7882
  FragIndex	| 1
  FragRMSD	| 0.854

@<TRIPOS>MOLECULE
BindingDB_12020
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4728    8.3248   15.2355  C     
2    C        -1.7160    9.1304   16.1044  C     
3    C        -0.4293    9.5548   15.7310  C     
4    C         0.1109    9.1458   14.4943  C     
5    C        -0.6390    8.3239   13.6296  C     
6    C        -1.9507    7.9140   13.9871  C     
7    C        -2.8113    7.1123   13.0825  C     
8    N        -3.3009    5.9471   13.7630  N     
9    C        -4.5505    5.7276   14.1615  C     
10   O        -5.4013    6.5751   13.9096  O     
11   C        -4.9321    4.5978   14.9065  C     
12   C        -3.9918    3.6107   15.3081  C     
13   C        -6.2836    4.3950   15.2923  C     
14   C        -6.6825    3.2650   16.0269  C     
15   C        -5.7385    2.2880   16.3910  C     
16   C        -4.3905    2.4742   16.0357  C     
17   S        -6.2240    0.8487   17.2467  S     
18   O        -5.9740   -0.3722   16.2611  O     
19   O        -5.3464    0.6552   18.5575  O     
20   N        -7.8625    0.7749   17.6090  N     
21   F        -0.1065    7.9713   12.4924  F     
22   F         0.2507   10.3240   16.5359  F     
23   F         1.3117    9.5330   14.1560  F     
24   H        -3.4171    8.0467   15.5275  H     
25   H        -2.1081    9.4081   17.0140  H     
26   H        -3.6125    7.7583   12.7176  H     
27   H        -2.2657    6.7666   12.1997  H     
28   H        -2.6375    5.2767   13.9872  H     
29   H        -2.9995    3.7069   15.0813  H     
30   H        -7.0041    5.0735   15.0461  H     
31   H        -7.6682    3.1611   16.2813  H     
32   H        -3.6841    1.7758   16.2943  H     
33   H        -8.2559   -0.0997   17.8205  H     
34   H        -8.4405    1.5087   17.3579  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    3   22 1
     6    4    5 1
     7    4   23 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    1   24 1
    26    2   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.4994
  Crash		| -1.4150
  Polar		| 2.8038
  FragIndex	| 1
  FragRMSD	| 0.863

@<TRIPOS>MOLECULE
BindingDB_12021
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.4119    8.4532   15.2631  C     
2    C        -1.6208    9.2670   16.0901  C     
3    C        -0.3290    9.6463   15.6872  C     
4    C         0.1757    9.1993   14.4525  C     
5    C        -0.5992    8.3574   13.6347  C     
6    C        -1.9041    7.9610   14.0204  C     
7    C        -2.7761    7.1288   13.1393  C     
8    N        -3.2594    5.9563   13.8092  N     
9    C        -4.5307    5.6271   14.0318  C     
10   O        -5.4091    6.3500   13.5780  O     
11   C        -4.8995    4.5159   14.8072  C     
12   C        -3.9609    3.5384   15.2243  C     
13   C        -6.2484    4.3070   15.1959  C     
14   C        -6.6349    3.1970   15.9684  C     
15   C        -5.6819    2.2473   16.3658  C     
16   C        -4.3383    2.4217   15.9911  C     
17   S        -6.1540    0.8204   17.2443  S     
18   O        -5.9434   -0.4952   16.3852  O     
19   O        -5.2501    0.6471   18.5312  O     
20   N        -7.7217    0.8045   17.8236  N     
21   F        -0.0790    8.0029   12.4858  F     
22   F         0.3785   10.4405   16.4392  F     
23   F        -3.6263    8.1871   15.6611  F     
24   H        -1.9966    9.5965   16.9864  H     
25   H         1.1105    9.4940   14.1564  H     
26   H        -3.5836    7.7770   12.7819  H     
27   H        -2.2341    6.7734   12.2601  H     
28   H        -2.5748    5.3776   14.1761  H     
29   H        -2.9760    3.6072   14.9675  H     
30   H        -6.9835    4.9686   14.9287  H     
31   H        -7.6188    3.0912   16.2360  H     
32   H        -3.6287    1.7369   16.2666  H     
33   H        -7.8791    0.9695   18.7674  H     
34   H        -8.4588    0.7791   17.1964  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   23 1
     4    2    3 1
     5    3    4 2
     6    3   22 1
     7    4    5 1
     8    5    6 2
     9    5   21 1
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    2   24 1
    26    4   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.9804
  Crash		| -1.5611
  Polar		| 2.7046
  FragIndex	| 1
  FragRMSD	| 0.856

@<TRIPOS>MOLECULE
BindingDB_12022
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.3297    8.2046   15.2166  C     
2    C        -1.5786    9.0479   16.0553  C     
3    C        -0.3501    9.5716   15.6102  C     
4    C         0.1364    9.2266   14.3345  C     
5    C        -0.6041    8.3570   13.5131  C     
6    C        -1.8447    7.8269   13.9406  C     
7    C        -2.6457    6.9629   13.0412  C     
8    N        -3.1749    5.8267   13.7331  N     
9    C        -4.4370    5.6430   14.1132  C     
10   O        -5.2676    6.4973   13.8148  O     
11   C        -4.8327    4.5283   14.8598  C     
12   C        -6.1958    4.3536   15.2172  C     
13   C        -3.9143    3.5313   15.2908  C     
14   C        -4.3468    2.4045   16.0128  C     
15   C        -5.7082    2.2426   16.3303  C     
16   C        -6.6291    3.2344   15.9452  C     
17   S        -6.2413    0.8174   17.1701  S     
18   O        -5.9390   -0.4323   16.2396  O     
19   O        -5.4131    0.6822   18.5178  O     
20   N        -7.8846    0.7678   17.4991  N     
21   F         0.3375   10.3811   16.3744  F     
22   F         1.2670    9.7123   13.8985  F     
23   F        -2.0357    9.3457   17.2421  F     
24   H        -3.2332    7.8554   15.5465  H     
25   H        -0.2454    8.1318   12.5811  H     
26   H        -3.4244    7.5802   12.5932  H     
27   H        -2.0410    6.5741   12.2199  H     
28   H        -2.5294    5.1531   13.9944  H     
29   H        -6.9019    5.0404   14.9483  H     
30   H        -2.9176    3.6034   15.0878  H     
31   H        -3.6590    1.7011   16.3005  H     
32   H        -7.6180    3.1490   16.1828  H     
33   H        -8.2719   -0.0320   17.8845  H     
34   H        -8.4546    1.5324   17.2946  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   23 1
     5    3    4 2
     6    3   21 1
     7    4    5 1
     8    4   22 1
     9    5    6 2
    10    6    7 1
    11    7    8 1
    12    8    9 am
    13    9   10 2
    14    9   11 1
    15   11   12 1
    16   11   13 2
    17   12   16 2
    18   13   14 1
    19   14   15 2
    20   15   16 1
    21   15   17 1
    22   17   18 2
    23   17   19 2
    24   17   20 am
    25    1   24 1
    26    5   25 1
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.8468
  Crash		| -1.6901
  Polar		| 2.6335
  FragIndex	| 1
  FragRMSD	| 0.914

@<TRIPOS>MOLECULE
BindingDB_12023
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.3957    8.2437   15.1755  C     
2    C        -1.6209    9.0502   16.0302  C     
3    C        -0.3510    9.4977   15.6252  C     
4    C         0.1667    9.0952   14.3805  C     
5    C        -0.5908    8.2514   13.5377  C     
6    C        -1.8846    7.8098   13.9243  C     
7    C        -2.7251    6.9656   13.0235  C     
8    N        -3.2528    5.8225   13.7114  N     
9    C        -4.5128    5.6168   14.0875  C     
10   O        -5.3562    6.4593   13.7948  O     
11   C        -4.8885    4.4945   14.8352  C     
12   C        -3.9573    3.5085   15.2578  C     
13   C        -6.2427    4.3059   15.2091  C     
14   C        -6.6548    3.1856   15.9446  C     
15   C        -5.7209    2.2095   16.3304  C     
16   C        -4.3666    2.3794   15.9893  C     
17   S        -6.2236    0.8002   17.2096  S     
18   O        -5.9279   -0.4562   16.2843  O     
19   O        -5.4034    0.6707   18.5634  O     
20   N        -7.8717    0.7384   17.5237  N     
21   F        -0.0844    7.9279   12.3764  F     
22   F        -3.5997    7.9206   15.5701  F     
23   F         1.3482    9.5161   14.0102  F     
24   F         0.3418   10.2875   16.4039  F     
25   F        -2.0791    9.3860   17.2063  F     
26   H        -3.5137    7.6058   12.6197  H     
27   H        -2.1699    6.5845   12.1732  H     
28   H        -2.6059    5.1420   13.9485  H     
29   H        -2.9627    3.5908   15.0417  H     
30   H        -6.9597    4.9872   14.9483  H     
31   H        -7.6394    3.0910   16.1911  H     
32   H        -3.6711    1.6820   16.2640  H     
33   H        -8.2989   -0.1259   17.6594  H     
34   H        -8.4160    1.5327   17.4190  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    1   22 1
     4    2    3 1
     5    2   25 1
     6    3    4 2
     7    3   24 1
     8    4    5 1
     9    4   23 1
    10    5    6 2
    11    5   21 1
    12    6    7 1
    13    7    8 1
    14    8    9 am
    15    9   10 2
    16    9   11 1
    17   11   12 1
    18   11   13 2
    19   12   16 2
    20   13   14 1
    21   14   15 2
    22   15   16 1
    23   15   17 1
    24   17   18 2
    25   17   19 2
    26   17   20 am
    27    7   26 1
    28    7   27 1
    29    8   28 1
    30   12   29 1
    31   13   30 1
    32   14   31 1
    33   16   32 1
    34   20   33 1
    35   20   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.0905
  Crash		| -1.6697
  Polar		| 2.5845
  FragIndex	| 1
  FragRMSD	| 0.865