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


@<TRIPOS>ATOM
1    C        -2.0565    6.5761   15.3171  C     
2    C        -1.5002    7.5824   16.1300  C     
3    C        -0.3740    8.3003   15.6991  C     
4    C         0.1992    8.0076   14.4542  C     
5    C        -0.3578    7.0021   13.6381  C     
6    C        -1.4872    6.2569   14.0584  C     
7    C        -2.0573    5.2165   13.1571  C     
8    N        -2.7936    4.2075   13.8562  N     
9    C        -4.1106    4.1111   14.0069  C     
10   O        -4.8259    4.9634   13.4825  O     
11   C        -4.6864    3.1315   14.8343  C     
12   C        -3.9133    2.1025   15.4459  C     
13   C        -6.0775    3.1373   15.1218  C     
14   C        -6.6665    2.1603   15.9440  C     
15   C        -5.8865    1.1305   16.5027  C     
16   C        -4.5034    1.1219   16.2603  C     
17   S        -6.6081   -0.1040   17.4995  S     
18   O        -6.5269    0.4262   18.9952  O     
19   O        -8.1265   -0.3408   17.0937  O     
20   N        -5.7626   -1.5564   17.4172  N     
21   H        -2.8910    6.0882   15.6491  H     
22   H        -1.9282    7.8020   17.0329  H     
23   H         0.0266    9.0316   16.2898  H     
24   H         1.0172    8.5291   14.1313  H     
25   H         0.0688    6.8152   12.7267  H     
26   H        -2.6586    5.7013   12.3834  H     
27   H        -1.2457    4.6950   12.6464  H     
28   H        -2.2611    3.5721   14.3525  H     
29   H        -2.8999    2.0456   15.3035  H     
30   H        -6.6804    3.8659   14.7340  H     
31   H        -7.6700    2.2091   16.1232  H     
32   H        -3.9089    0.3966   16.6693  H     
33   H        -5.9340   -2.2613   18.0649  H     
34   H        -5.1571   -1.7230   16.6760  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	| 3.7694
  Crash		| -0.6386
  Polar		| 0.0086
  FragIndex	| 1
  FragRMSD	| 0.489

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


@<TRIPOS>ATOM
1    C        -1.9010    6.7109   15.2197  C     
2    C        -1.2639    7.7495   15.9295  C     
3    C        -0.1437    8.3973   15.3762  C     
4    C         0.3325    8.0076   14.1131  C     
5    C        -0.3123    6.9754   13.4066  C     
6    F         0.4542    9.3610   16.0303  F     
7    C        -1.4310    6.2999   13.9482  C     
8    C        -2.1332    5.2608   13.1365  C     
9    N        -2.8411    4.2972   13.9229  N     
10   C        -4.1600    4.1188   13.9998  C     
11   O        -4.8944    4.8725   13.3678  O     
12   C        -4.7330    3.1288   14.8141  C     
13   C        -3.9587    2.0869   15.3899  C     
14   C        -6.1240    3.1268   15.0980  C     
15   C        -6.7046    2.1669   15.9437  C     
16   C        -5.9160    1.1493   16.5171  C     
17   C        -4.5390    1.1156   16.2289  C     
18   S        -6.6420   -0.0406   17.5632  S     
19   O        -6.5541    0.5150   19.0494  O     
20   O        -8.1624   -0.2812   17.1707  O     
21   N        -5.8366   -1.5162   17.5432  N     
22   H        -2.7279    6.2680   15.6291  H     
23   H        -1.6166    8.0268   16.8477  H     
24   H         1.1514    8.4740   13.7095  H     
25   H         0.0432    6.7228   12.4796  H     
26   H        -2.7828    5.7769   12.4214  H     
27   H        -1.4024    4.6894   12.5600  H     
28   H        -2.2964    3.7198   14.4754  H     
29   H        -2.9573    2.0089   15.1919  H     
30   H        -6.7409    3.8346   14.6961  H     
31   H        -7.7017    2.2208   16.1498  H     
32   H        -3.9403    0.3880   16.6304  H     
33   H        -6.0883   -2.2128   18.1715  H     
34   H        -5.2021   -1.7115   16.8311  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	| 3.6744
  Crash		| -0.4820
  Polar		| 0.0066
  FragIndex	| 1
  FragRMSD	| 0.392

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


@<TRIPOS>ATOM
1    C        -0.3097    6.9738   13.5943  C     
2    C         0.2948    7.9824   14.3607  C     
3    C        -0.2630    8.3737   15.5918  C     
4    C        -1.4355    7.7451   16.0578  C     
5    C        -2.0463    6.7242   15.2899  C     
6    C        -1.4799    6.3151   14.0521  C     
7    C        -2.1056    5.2788   13.1756  C     
8    N        -2.8334    4.2609   13.8816  N     
9    C        -4.1480    4.1462   14.0168  C     
10   O        -4.8679    4.9732   13.4636  O     
11   C        -4.7290    3.1396   14.8087  C     
12   C        -3.9571    2.0956   15.3842  C     
13   C        -6.1185    3.1338   15.0928  C     
14   C        -6.6951    2.1791   15.9498  C     
15   C        -5.9056    1.1691   16.5323  C     
16   C        -4.5294    1.1374   16.2437  C     
17   S        -6.6381   -0.0413   17.5576  S     
18   O        -6.5615    0.4906   19.0569  O     
19   O        -8.1694   -0.2176   17.1575  O     
20   N        -5.8791   -1.5357   17.5048  N     
21   F        -3.1586    6.1915   15.7477  F     
22   F         1.3768    8.5728   13.9253  F     
23   H         0.1061    6.7174   12.6955  H     
24   H         0.1675    9.1244   16.1453  H     
25   H        -1.8586    8.0350   16.9446  H     
26   H        -2.7261    5.7839   12.4355  H     
27   H        -1.3202    4.7421   12.6266  H     
28   H        -2.2875    3.6319   14.3709  H     
29   H        -2.9594    2.0097   15.1855  H     
30   H        -6.7388    3.8424   14.6891  H     
31   H        -7.6978    2.2290   16.1497  H     
32   H        -3.9328    0.4161   16.6550  H     
33   H        -6.0852   -2.2042   18.1760  H     
34   H        -5.2463   -1.7369   16.7991  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	| 3.6934
  Crash		| -0.5707
  Polar		| 0.0063
  FragIndex	| 1
  FragRMSD	| 0.431

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


@<TRIPOS>ATOM
1    C        -0.2818    7.0272   13.4426  C     
2    C         0.3688    8.0882   14.1048  C     
3    C        -0.0990    8.5336   15.3529  C     
4    C        -1.2233    7.9287   15.9305  C     
5    C        -1.8772    6.8628   15.2788  C     
6    C        -1.4004    6.3708   14.0274  C     
7    C        -2.0674    5.2735   13.2630  C     
8    N        -2.7748    4.2964   14.0430  N     
9    C        -4.0912    4.1106   14.1112  C     
10   O        -4.8254    4.8631   13.4776  O     
11   C        -4.6643    3.1179   14.9276  C     
12   C        -3.9012    2.0593   15.4904  C     
13   C        -6.0553    3.1250   15.2148  C     
14   C        -6.6495    2.1497   16.0360  C     
15   C        -5.8732    1.1111   16.5813  C     
16   C        -4.4929    1.0752   16.3057  C     
17   S        -6.6153   -0.0956   17.5987  S     
18   O        -6.6142    0.4612   19.0885  O     
19   O        -8.1131   -0.3289   17.1167  O     
20   N        -5.8200   -1.5737   17.5581  N     
21   F        -2.9416    6.3889   15.8669  F     
22   F         0.1849    6.6788   12.2689  F     
23   H         1.1816    8.5446   13.6822  H     
24   H         0.3694    9.3036   15.8322  H     
25   H        -1.5751    8.2738   16.8258  H     
26   H        -2.6920    5.7491   12.5064  H     
27   H        -1.3115    4.6972   12.7295  H     
28   H        -2.2157    3.7426   14.6049  H     
29   H        -2.8960    1.9873   15.3207  H     
30   H        -6.6603    3.8672   14.8469  H     
31   H        -7.6471    2.2149   16.2396  H     
32   H        -3.9031    0.3369   16.6990  H     
33   H        -6.2206   -2.3471   17.9886  H     
34   H        -5.0299   -1.6870   17.0039  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	| 3.5965
  Crash		| -0.7457
  Polar		| 0.0148
  FragIndex	| 1
  FragRMSD	| 0.404

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


@<TRIPOS>ATOM
1    C        -0.2395    6.7123   13.3448  C     
2    C         0.4555    7.7177   14.0357  C     
3    C        -0.0538    8.2171   15.2539  C     
4    C        -1.2573    7.7086   15.7603  C     
5    C        -1.9506    6.6943   15.0802  C     
6    C        -1.4467    6.1738   13.8489  C     
7    C        -2.2251    5.2095   13.0118  C     
8    N        -2.8870    4.1667   13.7420  N     
9    C        -4.2194    3.9683   13.8584  C     
10   O        -4.9614    4.7531   13.2569  O     
11   C        -4.7637    3.0232   14.7196  C     
12   C        -6.1554    3.0351   15.0234  C     
13   C        -3.9752    2.0236   15.3496  C     
14   C        -4.5391    1.0997   16.2533  C     
15   C        -5.9145    1.1469   16.5515  C     
16   C        -6.7147    2.1278   15.9407  C     
17   S        -6.6380   -0.0242   17.6247  S     
18   O        -6.5143    0.5331   19.1122  O     
19   O        -8.1747   -0.2261   17.2572  O     
20   N        -5.8630   -1.5128   17.5462  N     
21   F        -3.0726    6.2799   15.5991  F     
22   F         0.6055    9.1584   15.8788  F     
23   F        -1.7548    8.2047   16.8671  F     
24   H         0.1349    6.3944   12.4402  H     
25   H         1.3203    8.0994   13.6470  H     
26   H        -2.9260    5.8068   12.4227  H     
27   H        -1.5697    4.7023   12.2922  H     
28   H        -2.3207    3.5793   14.2595  H     
29   H        -6.7831    3.7128   14.5889  H     
30   H        -2.9781    1.9395   15.1460  H     
31   H        -3.9374    0.3970   16.6826  H     
32   H        -7.7106    2.1893   16.1538  H     
33   H        -5.9716   -2.1482   18.2659  H     
34   H        -5.1871   -1.6640   16.8627  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	| 3.5178
  Crash		| -0.6733
  Polar		| 0.0105
  FragIndex	| 1
  FragRMSD	| 0.441

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


@<TRIPOS>ATOM
1    C        -0.0838    7.0905   13.5166  C     
2    C         0.4739    8.1358   14.2844  C     
3    C        -0.1229    8.5212   15.4925  C     
4    C        -1.2811    7.8672   15.9346  C     
5    C        -1.8420    6.8246   15.1878  C     
6    C        -1.2368    6.3919   13.9592  C     
7    C        -1.8479    5.3430   13.0828  C     
8    N        -2.6203    4.3115   13.7209  N     
9    C        -3.9582    4.2182   13.7620  C     
10   O        -4.6164    5.0472   13.1364  O     
11   C        -4.6130    3.3056   14.5926  C     
12   C        -3.9402    2.2042   15.1832  C     
13   C        -5.9857    3.4595   14.9085  C     
14   C        -6.6509    2.5754   15.7758  C     
15   C        -5.9631    1.4871   16.3386  C     
16   C        -4.6030    1.3085   16.0429  C     
17   S        -6.7946    0.3334   17.3397  S     
18   O        -8.3766    0.4401   17.2658  O     
19   O        -6.4954   -1.0876   16.7144  O     
20   N        -6.2601    0.2275   18.9179  N     
21   F        -2.9433    6.3122   15.6727  F     
22   F         0.3809    9.4787   16.2024  F     
23   F         0.4955    6.8086   12.3809  F     
24   H         1.3147    8.6168   13.9546  H     
25   H        -1.7192    8.1646   16.8044  H     
26   H        -2.4183    5.8559   12.3028  H     
27   H        -1.0436    4.7921   12.5726  H     
28   H        -2.1102    3.6863   14.2561  H     
29   H        -2.9495    2.0239   14.9881  H     
30   H        -6.5333    4.2393   14.5204  H     
31   H        -7.6346    2.7346   15.9912  H     
32   H        -4.0795    0.5252   16.4435  H     
33   H        -5.7471   -0.5501   19.2136  H     
34   H        -6.4771    0.9282   19.5664  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	| 3.9010
  Crash		| -1.1832
  Polar		| 1.8045
  FragIndex	| 1
  FragRMSD	| 0.900

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


@<TRIPOS>ATOM
1    C        -1.9694    6.7981   15.0005  C     
2    C        -1.2650    7.8032   15.6900  C     
3    C        -0.0369    8.2811   15.1866  C     
4    C         0.4865    7.7333   13.9926  C     
5    C        -0.2144    6.7222   13.3085  C     
6    C        -1.4567    6.2406   13.8007  C     
7    C        -2.2523    5.2501   13.0289  C     
8    N        -2.9039    4.2953   13.8835  N     
9    C        -4.2148    4.1222   14.0354  C     
10   O        -4.9810    4.8831   13.4547  O     
11   C        -4.7495    3.1308   14.8710  C     
12   C        -6.1286    3.1372   15.2105  C     
13   C        -3.9557    2.0829   15.4081  C     
14   C        -4.5176    1.0840   16.2283  C     
15   C        -5.8909    1.1063   16.5449  C     
16   C        -6.6899    2.1489   16.0368  C     
17   S        -6.6120   -0.1314   17.5419  S     
18   O        -6.5397    0.4138   19.0345  O     
19   O        -8.1397   -0.3616   17.1608  O     
20   N        -5.7924   -1.5997   17.5169  N     
21   F         0.6168    9.2171   15.8256  F     
22   F         1.6280    8.1626   13.5132  F     
23   F        -1.7620    8.2955   16.7951  F     
24   H        -2.8676    6.4766   15.3728  H     
25   H         0.1750    6.3575   12.4338  H     
26   H        -2.9585    5.8111   12.4101  H     
27   H        -1.6029    4.6803   12.3560  H     
28   H        -2.3208    3.7114   14.3941  H     
29   H        -6.7533    3.8654   14.8554  H     
30   H        -2.9589    2.0144   15.1909  H     
31   H        -3.9158    0.3426   16.5956  H     
32   H        -7.6858    2.2022   16.2675  H     
33   H        -5.8906   -2.2185   18.2593  H     
34   H        -5.2313   -1.8344   16.7606  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	| 3.4155
  Crash		| -0.6458
  Polar		| 0.0086
  FragIndex	| 1
  FragRMSD	| 0.398

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


@<TRIPOS>ATOM
1    C        -0.1666    6.7694   13.3350  C     
2    C         0.5123    7.7988   14.0174  C     
3    C        -0.0282    8.3435   15.2044  C     
4    C        -1.2315    7.8298   15.7219  C     
5    C        -1.9106    6.7942   15.0487  C     
6    C        -1.3873    6.2427   13.8441  C     
7    C        -2.1667    5.2326   13.0657  C     
8    N        -2.8316    4.2695   13.8952  N     
9    C        -4.1452    4.1067   14.0462  C     
10   O        -4.9077    4.8495   13.4363  O     
11   C        -4.6975    3.1200   14.8840  C     
12   C        -3.8998    2.0970   15.4668  C     
13   C        -6.0859    3.1074   15.1822  C     
14   C        -6.6533    2.1223   16.0039  C     
15   C        -5.8470    1.1145   16.5671  C     
16   C        -4.4647    1.1041   16.2877  C     
17   S        -6.5987   -0.1100   17.5545  S     
18   O        -6.6116    0.4577   19.0466  O     
19   O        -8.1163   -0.3557   17.1076  O     
20   N        -5.8229   -1.5969   17.6203  N     
21   F        -3.0451    6.3592   15.5536  F     
22   F         0.3474    6.3314   12.2044  F     
23   F        -1.7176    8.3146   16.8353  F     
24   F         0.6005    9.3100   15.8268  F     
25   F         1.6385    8.2772   13.5424  F     
26   H        -2.8674    5.7810   12.4381  H     
27   H        -1.5271    4.6517   12.4017  H     
28   H        -2.2522    3.6814   14.4035  H     
29   H        -2.8949    2.0409   15.2761  H     
30   H        -6.7131    3.8175   14.7931  H     
31   H        -7.6568    2.1444   16.1989  H     
32   H        -3.8617    0.3748   16.6746  H     
33   H        -6.0381   -2.2064   18.3451  H     
34   H        -5.3781   -1.9363   16.8206  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	| 3.4647
  Crash		| -0.7233
  Polar		| 0.0059
  FragIndex	| 1
  FragRMSD	| 0.419