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


@<TRIPOS>ATOM
1    C        -2.0420    7.2583   15.4039  C     
2    C        -1.5265    8.2388   16.2648  C     
3    C        -0.4202    9.0120   15.8687  C     
4    C         0.1781    8.7849   14.6163  C     
5    C        -0.3416    7.7964   13.7567  C     
6    C        -1.4557    7.0118   14.1349  C     
7    C        -2.0450    6.0373   13.1800  C     
8    N        -2.7037    4.9563   13.8466  N     
9    C        -4.0112    4.7892   14.0244  C     
10   O        -4.7790    5.6207   13.5492  O     
11   C        -4.5428    3.7372   14.7999  C     
12   C        -5.9420    3.6005   14.9919  C     
13   C        -3.7068    2.7856   15.4474  C     
14   C        -4.2418    1.7607   16.2490  C     
15   C        -5.6318    1.6577   16.4312  C     
16   C        -6.4807    2.5836   15.8001  C     
17   S        -6.2774    0.3859   17.4355  S     
18   O        -6.0769   -0.9151   16.5470  O     
19   O        -5.4572    0.1859   18.7814  O     
20   N        -7.9360    0.4387   17.6969  N     
21   H        -2.8693    6.7368   15.7100  H     
22   H        -1.9732    8.4132   17.1667  H     
23   H        -0.0550    9.7388   16.4909  H     
24   H         0.9761    9.3522   14.3204  H     
25   H         0.0925    7.6655   12.8372  H     
26   H        -2.6996    6.5896   12.4993  H     
27   H        -1.2601    5.5957   12.5725  H     
28   H        -2.1165    4.2933   14.2242  H     
29   H        -6.6008    4.2408   14.5375  H     
30   H        -2.6895    2.8203   15.3447  H     
31   H        -3.6046    1.1056   16.7124  H     
32   H        -7.4945    2.5357   15.9321  H     
33   H        -8.4129   -0.3945   17.8774  H     
34   H        -8.4350    1.2432   17.5144  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	| 5.0546
  Crash		| -0.7918
  Polar		| 2.2307
  FragIndex	| 1
  FragRMSD	| 0.898

@<TRIPOS>MOLECULE
BindingDB_12014
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.0342    7.2016   15.3747  C     
2    C        -1.5251    8.1806   16.2509  C     
3    C        -0.4295    8.9665   15.8664  C     
4    C         0.1518    8.7804   14.6017  C     
5    C        -0.3584    7.8064   13.7201  C     
6    C        -1.4596    6.9899   14.0912  C     
7    C        -2.0345    6.0068   13.1286  C     
8    N        -2.7165    4.9329   13.7838  N     
9    C        -4.0285    4.7812   13.9601  C     
10   O        -4.7829    5.6253   13.4856  O     
11   C        -4.5672    3.7415   14.7360  C     
12   C        -5.9720    3.5987   14.9229  C     
13   C        -3.7394    2.7968   15.4040  C     
14   C        -4.2756    1.7834   16.2192  C     
15   C        -5.6650    1.6866   16.4048  C     
16   C        -6.5147    2.5914   15.7454  C     
17   S        -6.3147    0.4227   17.4112  S     
18   O        -6.0589   -0.8952   16.5556  O     
19   O        -5.5214    0.2534   18.7805  O     
20   N        -7.9825    0.4310   17.6087  N     
21   F         0.2101    7.6993   12.5428  F     
22   H        -2.8498    6.6648   15.6774  H     
23   H        -1.9696    8.3232   17.1634  H     
24   H        -0.0760    9.6929   16.4917  H     
25   H         0.9398    9.3680   14.3205  H     
26   H        -2.6681    6.5484   12.4220  H     
27   H        -1.2345    5.5417   12.5573  H     
28   H        -2.1417    4.2643   14.1778  H     
29   H        -6.6307    4.2333   14.4602  H     
30   H        -2.7234    2.8338   15.3146  H     
31   H        -3.6387    1.1356   16.6946  H     
32   H        -7.5273    2.5402   15.8776  H     
33   H        -8.4601   -0.4156   17.7098  H     
34   H        -8.4791    1.2554   17.5496  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    5   21 1
     8    6    7 1
     9    7    8 1
    10    8    9 am
    11    9   10 2
    12    9   11 1
    13   11   12 1
    14   11   13 2
    15   12   16 2
    16   13   14 1
    17   14   15 2
    18   15   16 1
    19   15   17 1
    20   17   18 2
    21   17   19 2
    22   17   20 am
    23    1   22 1
    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	| 4.9075
  Crash		| -0.7528
  Polar		| 2.1486
  FragIndex	| 1
  FragRMSD	| 0.901

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


@<TRIPOS>ATOM
1    C        -1.9555    7.2331   15.2719  C     
2    C        -1.4026    8.2203   16.1114  C     
3    C        -0.2941    8.9673   15.6726  C     
4    C         0.2662    8.7192   14.4079  C     
5    C        -0.2891    7.7324   13.5770  C     
6    F         0.2162    9.8979   16.4447  F     
7    C        -1.3979    6.9632   13.9944  C     
8    C        -1.9756    5.9547   13.0679  C     
9    N        -2.6382    4.8876   13.7571  N     
10   C        -3.9497    4.7246   13.9231  C     
11   O        -4.7056    5.5226   13.3778  O     
12   C        -4.4721    3.7114   14.7383  C     
13   C        -5.8764    3.5509   14.8788  C     
14   C        -3.6363    2.8258   15.4769  C     
15   C        -4.1827    1.8124   16.2889  C     
16   C        -5.5803    1.6727   16.4002  C     
17   C        -6.4224    2.5484   15.6942  C     
18   S        -6.2506    0.4066   17.3838  S     
19   O        -6.0877   -0.9297   16.5410  O     
20   O        -5.4374    0.2667   18.7421  O     
21   N        -7.8907    0.5879   17.7043  N     
22   H        -2.7775    6.7199   15.6057  H     
23   H        -1.8193    8.4039   17.0245  H     
24   H         1.0659    9.2607   14.0880  H     
25   H         0.1209    7.5795   12.6564  H     
26   H        -2.6321    6.4663   12.3649  H     
27   H        -1.1839    5.4886   12.4837  H     
28   H        -2.0529    4.2552   14.2028  H     
29   H        -6.5265    4.1610   14.3754  H     
30   H        -2.6213    2.8983   15.4353  H     
31   H        -3.5547    1.1883   16.7921  H     
32   H        -7.4365    2.4638   15.7579  H     
33   H        -8.3636   -0.1054   18.1864  H     
34   H        -8.3586    1.3876   17.4251  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	| 4.3170
  Crash		| -1.0004
  Polar		| 2.2316
  FragIndex	| 1
  FragRMSD	| 0.895

@<TRIPOS>MOLECULE
BindingDB_12016
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.0645    7.3271   15.3672  C     
2    C        -1.5119    8.2778   16.2402  C     
3    C        -0.3515    8.9772   15.8723  C     
4    C         0.2602    8.7185   14.6319  C     
5    C        -0.2854    7.7546   13.7607  C     
6    C        -1.4445    7.0241   14.1262  C     
7    C        -2.0527    6.0310   13.1969  C     
8    N        -2.6973    4.9560   13.8937  N     
9    C        -4.0052    4.7789   14.0643  C     
10   O        -4.7713    5.5831   13.5504  O     
11   C        -4.5054    3.7334   14.8549  C     
12   C        -3.6735    2.7883   15.5060  C     
13   C        -5.9048    3.5982   15.0458  C     
14   C        -6.4477    2.5717   15.8337  C     
15   C        -5.6064    1.6431   16.4677  C     
16   C        -4.2128    1.7537   16.2961  C     
17   S        -6.2746    0.3653   17.4356  S     
18   O        -6.1310   -0.9552   16.5697  O     
19   O        -5.4475    0.2098   18.7814  O     
20   N        -7.9115    0.5457   17.7578  N     
21   F         0.2865    7.5706   12.5990  F     
22   F         1.3220    9.4029   14.2916  F     
23   H        -2.9255    6.8492   15.6491  H     
24   H        -1.9645    8.4804   17.1339  H     
25   H         0.0369    9.6849   16.4997  H     
26   H        -2.7261    6.5654   12.5245  H     
27   H        -1.2900    5.5583   12.5731  H     
28   H        -2.1080    4.3315   14.3400  H     
29   H        -2.6536    2.8288   15.4254  H     
30   H        -6.5602    4.2559   14.6119  H     
31   H        -7.4611    2.5117   15.9360  H     
32   H        -3.5821    1.0826   16.7473  H     
33   H        -8.3912   -0.1615   18.2107  H     
34   H        -8.3814    1.3509   17.4870  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    3    4 2
     5    4    5 1
     6    4   22 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    1   23 1
    25    2   24 1
    26    3   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	| 4.3725
  Crash		| -1.0826
  Polar		| 2.2047
  FragIndex	| 1
  FragRMSD	| 0.898

@<TRIPOS>MOLECULE
BindingDB_12017
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.2451    7.6031   13.5964  C     
2    C         0.4031    8.5770   14.3796  C     
3    C        -0.1455    8.9714   15.6121  C     
4    C        -1.3421    8.3871   16.0624  C     
5    C        -2.0142    7.4358   15.2669  C     
6    F         0.4590    9.8708   16.3413  F     
7    C        -1.4700    7.0250   14.0182  C     
8    C        -2.1833    6.0730   13.1230  C     
9    N        -2.7988    5.0147   13.8691  N     
10   C        -4.0988    4.7617   13.9796  C     
11   O        -4.8904    5.4796   13.3811  O     
12   C        -4.5931    3.7260   14.7901  C     
13   C        -3.7442    2.7871   15.4321  C     
14   C        -5.9885    3.5867   15.0154  C     
15   C        -6.5087    2.5728   15.8340  C     
16   C        -5.6476    1.6477   16.4536  C     
17   C        -4.2593    1.7624   16.2489  C     
18   S        -6.2835    0.3584   17.4293  S     
19   O        -6.0944   -0.9466   16.5442  O     
20   O        -5.4689    0.1663   18.7795  O     
21   N        -7.9416    0.4261   17.6932  N     
22   F        -3.1460    6.9558   15.7128  F     
23   H         0.1748    7.3465   12.7011  H     
24   H         1.2764    8.9986   14.0508  H     
25   H        -1.7314    8.6667   16.9647  H     
26   H        -2.9009    6.6526   12.5363  H     
27   H        -1.4995    5.6031   12.4134  H     
28   H        -2.1906    4.4318   14.3511  H     
29   H        -2.7293    2.8304   15.3113  H     
30   H        -6.6623    4.2253   14.5815  H     
31   H        -7.5202    2.5139   15.9702  H     
32   H        -3.6156    1.0996   16.6875  H     
33   H        -8.4482   -0.4061   17.7804  H     
34   H        -8.4194    1.2584   17.5625  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    5   22 1
     9    7    8 1
    10    8    9 1
    11    9   10 am
    12   10   11 2
    13   10   12 1
    14   12   13 1
    15   12   14 2
    16   13   17 2
    17   14   15 1
    18   15   16 2
    19   16   17 1
    20   16   18 1
    21   18   19 2
    22   18   20 2
    23   18   21 am
    24    1   23 1
    25    2   24 1
    26    4   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	| 4.6365
  Crash		| -0.8306
  Polar		| 2.1588
  FragIndex	| 1
  FragRMSD	| 0.851

@<TRIPOS>MOLECULE
BindingDB_12018
 34 35 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -0.3184    7.7021   13.6590  C     
2    C         0.3543    8.6360   14.4672  C     
3    C        -0.1454    8.9474   15.7428  C     
4    C        -1.3335    8.3486   16.1950  C     
5    C        -2.0264    7.4364   15.3728  C     
6    C        -1.5236    7.0912   14.0908  C     
7    C        -2.2602    6.1933   13.1608  C     
8    N        -2.8424    5.0777   13.8394  N     
9    C        -4.1407    4.8326   14.0076  C     
10   O        -4.9480    5.5980   13.4894  O     
11   C        -4.6223    3.7748   14.7893  C     
12   C        -3.7616    2.8416   15.4292  C     
13   C        -6.0158    3.6055   15.0083  C     
14   C        -6.5275    2.5754   15.8181  C     
15   C        -5.6497    1.6662   16.4372  C     
16   C        -4.2653    1.8003   16.2298  C     
17   S        -6.2563    0.3328   17.3792  S     
18   O        -6.0595   -0.9449   16.4615  O     
19   O        -5.4158    0.1465   18.7145  O     
20   N        -7.8995    0.3935   17.7184  N     
21   F        -3.1544    6.9393   15.8180  F     
22   F         1.4374    9.2260   14.0304  F     
23   H         0.0584    7.5038   12.7278  H     
24   H         0.3388    9.6156   16.3412  H     
25   H        -1.6979    8.5877   17.1190  H     
26   H        -3.0001    6.8159   12.6536  H     
27   H        -1.6055    5.7965   12.3895  H     
28   H        -2.2186    4.4533   14.2363  H     
29   H        -2.7456    2.9035   15.3191  H     
30   H        -6.6957    4.2390   14.5765  H     
31   H        -7.5379    2.4942   15.9483  H     
32   H        -3.6103    1.1439   16.6655  H     
33   H        -8.3518   -0.4210   18.0140  H     
34   H        -8.4308    1.1522   17.4274  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 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    1   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	| 4.3807
  Crash		| -0.9940
  Polar		| 2.1356
  FragIndex	| 1
  FragRMSD	| 0.881

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


@<TRIPOS>ATOM
1    C        -2.0395    7.4730   15.3294  C     
2    C        -1.3906    8.4099   16.1624  C     
3    C        -0.1853    9.0007   15.7602  C     
4    C         0.3874    8.6449   14.5283  C     
5    C        -0.2462    7.6966   13.6976  C     
6    C        -1.4718    7.0973   14.0824  C     
7    C        -2.1936    6.1679   13.1638  C     
8    N        -2.7935    5.0555   13.8579  N     
9    C        -4.0896    4.7407   13.9130  C     
10   O        -4.8805    5.4318   13.2756  O     
11   C        -4.5963    3.7128   14.7267  C     
12   C        -3.7556    2.7553   15.3556  C     
13   C        -5.9903    3.5961   14.9814  C     
14   C        -6.5102    2.6042   15.8315  C     
15   C        -5.6545    1.6698   16.4412  C     
16   C        -4.2755    1.7498   16.1949  C     
17   S        -6.2870    0.4083   17.4665  S     
18   O        -6.1098   -0.9063   16.5962  O     
19   O        -5.4480    0.1997   18.8014  O     
20   N        -7.9455    0.4370   17.7404  N     
21   F         0.3278    7.4316   12.5489  F     
22   F        -3.1779    6.9937   15.7390  F     
23   H        -1.8149    8.6768   17.0573  H     
24   H         0.2747    9.6935   16.3619  H     
25   H         1.2602    9.0961   14.2364  H     
26   H        -2.9396    6.7708   12.6323  H     
27   H        -1.5305    5.7517   12.4064  H     
28   H        -2.1838    4.5026   14.3643  H     
29   H        -2.7447    2.7574   15.1915  H     
30   H        -6.6581    4.2428   14.5503  H     
31   H        -7.5190    2.5651   15.9941  H     
32   H        -3.6312    1.0710   16.6155  H     
33   H        -8.4165   -0.4137   17.8300  H     
34   H        -8.4498    1.2409   17.5759  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	| 4.4654
  Crash		| -1.0936
  Polar		| 2.3270
  FragIndex	| 1
  FragRMSD	| 0.873

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


@<TRIPOS>ATOM
1    C        -1.5091    6.8579   15.0840  C     
2    C        -1.0090    7.8077   15.9953  C     
3    C        -0.8870    9.1552   15.6183  C     
4    C        -1.2772    9.5513   14.3235  C     
5    C        -1.7879    8.5980   13.4115  C     
6    C        -1.9143    7.2341   13.7826  C     
7    C        -2.3765    6.1939   12.8146  C     
8    N        -3.0182    5.0663   13.4332  N     
9    C        -4.2641    5.0106   13.8964  C     
10   O        -5.0033    5.9669   13.6761  O     
11   C        -4.7437    3.9332   14.6526  C     
12   C        -6.1229    3.8088   14.9703  C     
13   C        -3.8692    2.9492   15.1798  C     
14   C        -4.3474    1.8991   15.9855  C     
15   C        -5.7182    1.7968   16.2928  C     
16   C        -6.6036    2.7641   15.7837  C     
17   S        -6.2886    0.4957   17.2991  S     
18   O        -6.0457   -0.8339   16.4642  O     
19   O        -5.4364    0.4121   18.6386  O     
20   N        -7.9273    0.5070   17.6650  N     
21   F        -2.1142    9.0016   12.2105  F     
22   F        -0.3991   10.0188   16.4661  F     
23   F        -1.1312   10.8016   13.9600  F     
24   H        -1.5774    5.8857   15.3851  H     
25   H        -0.7298    7.5149   16.9334  H     
26   H        -3.0449    6.6208   12.0641  H     
27   H        -1.4962    5.8326   12.2805  H     
28   H        -2.4722    4.2692   13.5411  H     
29   H        -6.8076    4.4856   14.6165  H     
30   H        -2.8643    2.9928   15.0044  H     
31   H        -3.6818    1.2070   16.3492  H     
32   H        -7.6034    2.7131   16.0023  H     
33   H        -8.3419   -0.3003   18.0163  H     
34   H        -8.4865    1.2461   17.3775  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	| 4.3842
  Crash		| -1.0373
  Polar		| 2.3813
  FragIndex	| 1
  FragRMSD	| 1.144

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


@<TRIPOS>ATOM
1    C        -2.0480    7.4720   15.2757  C     
2    C        -1.3746    8.3940   16.0987  C     
3    C        -0.1569    8.9584   15.6809  C     
4    C         0.3966    8.5790   14.4440  C     
5    C        -0.2636    7.6413   13.6240  C     
6    C        -1.5046    7.0768   14.0215  C     
7    C        -2.2625    6.1717   13.1083  C     
8    N        -2.8431    5.0510   13.8022  N     
9    C        -4.1371    4.7305   13.8733  C     
10   O        -4.9398    5.4152   13.2457  O     
11   C        -4.6284    3.6960   14.6969  C     
12   C        -6.0240    3.5726   14.9446  C     
13   C        -3.7737    2.7487   15.3237  C     
14   C        -4.2835    1.7417   16.1633  C     
15   C        -5.6696    1.6503   16.4014  C     
16   C        -6.5340    2.5773   15.7940  C     
17   S        -6.2933    0.3883   17.4296  S     
18   O        -6.0948   -0.9256   16.5604  O     
19   O        -5.4644    0.2062   18.7752  O     
20   N        -7.9534    0.4087   17.6872  N     
21   F         0.2947    7.3511   12.4778  F     
22   F         0.4525    9.8412   16.4272  F     
23   F        -3.1950    7.0164   15.6940  F     
24   H        -1.7836    8.6683   16.9942  H     
25   H         1.2814    9.0020   14.1404  H     
26   H        -3.0213    6.7896   12.6182  H     
27   H        -1.6322    5.7662   12.3236  H     
28   H        -2.2200    4.4881   14.2836  H     
29   H        -6.6960    4.2114   14.5157  H     
30   H        -2.7674    2.7617   15.1620  H     
31   H        -3.6377    1.0728   16.5962  H     
32   H        -7.5418    2.5337   15.9614  H     
33   H        -8.4297   -0.4356   17.7973  H     
34   H        -8.4571    1.2341   17.5784  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	| 4.3217
  Crash		| -1.1160
  Polar		| 2.2321
  FragIndex	| 1
  FragRMSD	| 0.850

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


@<TRIPOS>ATOM
1    C        -1.9108    7.3470   15.1335  C     
2    C        -1.2911    8.3209   15.9358  C     
3    C        -0.0800    8.9126   15.5257  C     
4    C         0.5183    8.4998   14.3190  C     
5    C        -0.0960    7.5069   13.5272  C     
6    C        -1.3255    6.9260   13.9125  C     
7    C        -2.0114    5.9609   13.0133  C     
8    N        -2.6520    4.9091   13.7431  N     
9    C        -3.9576    4.6349   13.7891  C     
10   O        -4.7286    5.3184   13.1202  O     
11   C        -4.4907    3.6585   14.6421  C     
12   C        -5.8979    3.5063   14.8024  C     
13   C        -3.6604    2.7797   15.3862  C     
14   C        -4.1953    1.8039   16.2483  C     
15   C        -5.5920    1.6805   16.3854  C     
16   C        -6.4400    2.5453   15.6694  C     
17   S        -6.2489    0.4405   17.4213  S     
18   O        -6.0652   -0.8968   16.5842  O     
19   O        -5.4217    0.3057   18.7710  O     
20   N        -7.9087    0.5282   17.7018  N     
21   F         0.4838    9.8415   16.2592  F     
22   F         1.6441    9.0348   13.9224  F     
23   F        -1.8579    8.6831   17.0582  F     
24   H        -2.8042    6.9558   15.4409  H     
25   H         0.3464    7.2402   12.6464  H     
26   H        -2.7036    6.5310   12.4004  H     
27   H        -1.2969    5.4964   12.3366  H     
28   H        -2.0695    4.3623   14.2804  H     
29   H        -6.5498    4.1048   14.2967  H     
30   H        -2.6373    2.8286   15.3189  H     
31   H        -3.5584    1.1838   16.7640  H     
32   H        -7.4516    2.4710   15.7631  H     
33   H        -8.3908   -0.2705   18.0087  H     
34   H        -8.3939    1.3615   17.5584  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	| 3.9576
  Crash		| -1.1869
  Polar		| 2.2994
  FragIndex	| 1
  FragRMSD	| 0.887

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


@<TRIPOS>ATOM
1    C        -2.0080    7.3817   15.1996  C     
2    C        -1.3365    8.3129   16.0161  C     
3    C        -0.1346    8.9073   15.5802  C     
4    C         0.4047    8.5480   14.3297  C     
5    C        -0.2554    7.6046   13.5182  C     
6    C        -1.4762    7.0025   13.9366  C     
7    C        -2.2337    6.0821   13.0333  C     
8    N        -2.8317    4.9917   13.7432  N     
9    C        -4.1268    4.6896   13.8144  C     
10   O        -4.9215    5.3658   13.1634  O     
11   C        -4.6256    3.6780   14.6511  C     
12   C        -6.0207    3.5614   14.9028  C     
13   C        -3.7741    2.7391   15.3004  C     
14   C        -4.2879    1.7515   16.1645  C     
15   C        -5.6703    1.6720   16.4100  C     
16   C        -6.5336    2.5817   15.7760  C     
17   S        -6.3016    0.4282   17.4499  S     
18   O        -6.0491   -0.8992   16.6175  O     
19   O        -5.4982    0.2674   18.8115  O     
20   N        -7.9679    0.4141   17.6668  N     
21   F         0.2708    7.3306   12.3501  F     
22   F        -3.1410    6.8972   15.6276  F     
23   F         1.5065    9.1177   13.9198  F     
24   F         0.4630    9.8058   16.3192  F     
25   F        -1.8546    8.6562   17.1686  F     
26   H        -2.9611    6.6959   12.4983  H     
27   H        -1.5789    5.6370   12.2858  H     
28   H        -2.2189    4.4196   14.2288  H     
29   H        -6.6895    4.1943   14.4574  H     
30   H        -2.7647    2.7514   15.1373  H     
31   H        -3.6437    1.0990   16.6136  H     
32   H        -7.5445    2.5487   15.9464  H     
33   H        -8.4297   -0.4422   17.7291  H     
34   H        -8.4798    1.2257   17.5809  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	| 4.2771
  Crash		| -1.0646
  Polar		| 2.1478
  FragIndex	| 1
  FragRMSD	| 0.851