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


@<TRIPOS>ATOM
1    C        -1.7175    7.6389   15.1072  C     
2    C        -1.0918    8.5241   16.0083  C     
3    C        -1.2505    9.9147   15.8480  C     
4    C        -2.0469   10.4167   14.8019  C     
5    C        -2.6910    9.5234   13.9196  C     
6    C        -2.5295    8.1222   14.0528  C     
7    C        -3.1357    7.1850   13.0667  C     
8    N        -3.6259    6.0048   13.7208  N     
9    C        -4.8193    5.4270   13.6319  C     
10   O        -5.6895    5.9511   12.9285  O     
11   C        -5.1212    4.3044   14.4067  C     
12   C        -6.4691    3.9512   14.7006  C     
13   C        -4.1054    3.4736   14.9660  C     
14   C        -4.4202    2.3479   15.7420  C     
15   C        -5.7689    2.0162   16.0074  C     
16   C        -6.7841    2.8544   15.5136  C     
17   S        -6.1437    0.5565   16.8633  S     
18   O        -5.3768    0.5997   18.2580  O     
19   O        -7.7009    0.3514   17.1156  O     
20   N        -5.4830   -0.7582   16.0452  N     
21   H        -1.5722    6.6290   15.2181  H     
22   H        -0.5328    8.1681   16.7764  H     
23   H        -0.7940   10.5559   16.4903  H     
24   H        -2.1588   11.4239   14.6800  H     
25   H        -3.2695    9.9060   13.1650  H     
26   H        -3.9159    7.6761   12.4716  H     
27   H        -2.3486    6.8696   12.3821  H     
28   H        -2.9930    5.5374   14.2955  H     
29   H        -7.2358    4.5234   14.3341  H     
30   H        -3.1101    3.6655   14.7833  H     
31   H        -3.6726    1.7433   16.0845  H     
32   H        -7.7614    2.6710   15.7214  H     
33   H        -5.0309   -1.4578   16.5450  H     
34   H        -5.3026   -0.6785   15.0936  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	| 5.5200
  Crash		| -1.3579
  Polar		| 2.8871
  FragIndex	| 1
  FragRMSD	| 0.221

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


@<TRIPOS>ATOM
1    C        -1.7057    7.5541   15.0542  C     
2    C        -1.1497    8.4011   16.0278  C     
3    C        -1.3523    9.7862   15.9509  C     
4    C        -2.1248   10.3258   14.9067  C     
5    C        -2.7033    9.4765   13.9399  C     
6    C        -2.4977    8.0732   14.0007  C     
7    C        -3.0956    7.1298   13.0140  C     
8    N        -3.5707    5.9593   13.6907  N     
9    C        -4.7815    5.4091   13.6524  C     
10   O        -5.6606    5.9479   12.9790  O     
11   C        -5.0924    4.2881   14.4307  C     
12   C        -6.4418    3.9533   14.7262  C     
13   C        -4.0852    3.4362   14.9633  C     
14   C        -4.4044    2.3060   15.7344  C     
15   C        -5.7530    1.9879   15.9998  C     
16   C        -6.7662    2.8332   15.5100  C     
17   S        -6.1462    0.5514   16.9032  S     
18   O        -5.3785    0.6509   18.2919  O     
19   O        -7.7016    0.3699   17.1799  O     
20   N        -5.5248   -0.8052   16.1322  N     
21   F        -3.4230   10.0223   12.9959  F     
22   H        -1.5401    6.5500   15.1279  H     
23   H        -0.6021    8.0123   16.7955  H     
24   H        -0.9413   10.3990   16.6562  H     
25   H        -2.2736   11.3360   14.8622  H     
26   H        -3.8862    7.6013   12.4230  H     
27   H        -2.3214    6.8174   12.3075  H     
28   H        -2.9226    5.5353   14.2768  H     
29   H        -7.2085    4.5376   14.3811  H     
30   H        -3.0947    3.6211   14.7859  H     
31   H        -3.6535    1.7081   16.0886  H     
32   H        -7.7479    2.6335   15.7182  H     
33   H        -5.1176   -1.5090   16.6581  H     
34   H        -5.3629   -0.7771   15.1791  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	| 5.5227
  Crash		| -1.5931
  Polar		| 2.7435
  FragIndex	| 1
  FragRMSD	| 0.204

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


@<TRIPOS>ATOM
1    C        -2.3168    9.3854   13.5415  C     
2    C        -1.6297   10.2966   14.3660  C     
3    C        -0.9958    9.8472   15.5399  C     
4    C        -1.0465    8.4817   15.8773  C     
5    C        -1.7148    7.5695   15.0403  C     
6    F        -0.3289   10.6860   16.2877  F     
7    C        -2.3647    8.0051   13.8610  C     
8    C        -3.0269    7.0348   12.9466  C     
9    N        -3.5285    5.9040   13.6622  N     
10   C        -4.7621    5.3981   13.6609  C     
11   O        -5.6567    5.9624   13.0338  O     
12   C        -5.0685    4.2726   14.4370  C     
13   C        -6.4253    3.9057   14.6970  C     
14   C        -4.0625    3.4361   15.0150  C     
15   C        -4.3869    2.3125   15.7879  C     
16   C        -5.7387    1.9714   16.0298  C     
17   C        -6.7544    2.7944   15.4929  C     
18   S        -6.1416    0.5430   16.9294  S     
19   O        -5.3633    0.6645   18.3085  O     
20   O        -7.7069    0.3609   17.1638  O     
21   N        -5.5279   -0.8122   16.1543  N     
22   H        -2.7572    9.7309   12.6848  H     
23   H        -1.5880   11.2888   14.1040  H     
24   H        -0.5983    8.1646   16.7313  H     
25   H        -1.7016    6.5751   15.2743  H     
26   H        -3.8191    7.5273   12.3564  H     
27   H        -2.2722    6.6723   12.2393  H     
28   H        -2.8567    5.3940   14.1598  H     
29   H        -7.1956    4.4772   14.3338  H     
30   H        -3.0708    3.6311   14.8600  H     
31   H        -3.6354    1.7296   16.1642  H     
32   H        -7.7356    2.5931   15.6918  H     
33   H        -5.2167   -1.5574   16.7001  H     
34   H        -5.2249   -0.7440   15.2326  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	| 5.0780
  Crash		| -1.2992
  Polar		| 2.5839
  FragIndex	| 1
  FragRMSD	| 0.228

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


@<TRIPOS>ATOM
1    C        -1.7038    7.4930   15.0712  C     
2    C        -1.1251    8.3598   16.0167  C     
3    C        -1.2711    9.7497   15.8729  C     
4    C        -2.0245   10.2722   14.8009  C     
5    C        -2.6212    9.3937   13.8661  C     
6    C        -2.4673    7.9879   13.9845  C     
7    C        -2.9912    7.0378   12.9618  C     
8    N        -3.4830    5.8315   13.5489  N     
9    C        -4.7305    5.5408   13.8828  C     
10   O        -5.6228    6.3272   13.5926  O     
11   C        -5.0347    4.3631   14.5832  C     
12   C        -6.3853    4.0013   14.8347  C     
13   C        -4.0297    3.4928   15.0977  C     
14   C        -4.3608    2.3223   15.8104  C     
15   C        -5.7096    1.9820   16.0316  C     
16   C        -6.7193    2.8396   15.5578  C     
17   S        -6.1179    0.4993   16.8504  S     
18   O        -5.3449    0.5618   18.2384  O     
19   O        -7.6740    0.2714   17.0939  O     
20   N        -5.4504   -0.8126   16.0388  N     
21   F        -3.2825    9.9211   12.8652  F     
22   F        -2.1420   11.5711   14.6886  F     
23   H        -1.5648    6.4837   15.1802  H     
24   H        -0.6038    7.9779   16.8125  H     
25   H        -0.8240   10.3708   16.5532  H     
26   H        -3.7452    7.4904   12.3096  H     
27   H        -2.1480    6.7643   12.3241  H     
28   H        -2.8140    5.1640   13.7514  H     
29   H        -7.1519    4.5822   14.4957  H     
30   H        -3.0380    3.6988   14.9773  H     
31   H        -3.6106    1.7168   16.1645  H     
32   H        -7.7063    2.6243   15.7233  H     
33   H        -5.0912   -1.5621   16.5442  H     
34   H        -5.3131   -0.7647   15.0728  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	| 5.2171
  Crash		| -1.1523
  Polar		| 1.9850
  FragIndex	| 1
  FragRMSD	| 0.390

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


@<TRIPOS>ATOM
1    C        -2.5214    7.7393   15.0195  C     
2    C        -1.5105    8.3508   15.7807  C     
3    C        -1.3809    9.7518   15.7830  C     
4    C        -2.2944   10.5356   15.0455  C     
5    C        -3.3336    9.9253   14.3088  C     
6    F        -0.4208   10.3102   16.4691  F     
7    C        -3.4574    8.5063   14.2807  C     
8    C        -4.4985    7.8050   13.4773  C     
9    N        -4.9145    6.5803   14.0985  N     
10   C        -4.4310    5.3615   13.8574  C     
11   O        -3.5436    5.2193   13.0154  O     
12   C        -4.8429    4.2545   14.6015  C     
13   C        -6.1427    4.1818   15.1648  C     
14   C        -3.9667    3.1567   14.8014  C     
15   C        -4.3774    2.0204   15.5176  C     
16   C        -5.6832    1.9460   16.0426  C     
17   C        -6.5607    3.0387   15.8723  C     
18   S        -6.1990    0.5031   16.8681  S     
19   O        -5.4915    0.5535   18.2896  O     
20   O        -7.7731    0.3939   17.0633  O     
21   N        -5.5810   -0.8623   16.1076  N     
22   F        -4.1595   10.7026   13.6486  F     
23   H        -2.5640    6.7189   15.0225  H     
24   H        -0.8611    7.7693   16.3196  H     
25   H        -2.2036   11.5573   15.0523  H     
26   H        -5.3928    8.4192   13.3479  H     
27   H        -4.1111    7.6309   12.4729  H     
28   H        -5.5792    6.6616   14.8085  H     
29   H        -6.8142    4.9442   15.0353  H     
30   H        -3.0111    3.1776   14.4318  H     
31   H        -3.7212    1.2464   15.6442  H     
32   H        -7.5105    3.0066   16.2493  H     
33   H        -5.2257   -1.5863   16.6493  H     
34   H        -5.3284   -0.8055   15.1686  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	| 5.3841
  Crash		| -0.8557
  Polar		| 1.9471
  FragIndex	| 1
  FragRMSD	| 0.820

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


@<TRIPOS>ATOM
1    C        -2.7497    9.6054   14.0718  C     
2    C        -2.0050   10.4397   14.9259  C     
3    C        -1.1981    9.8730   15.9280  C     
4    C        -1.0951    8.4719   16.0343  C     
5    C        -1.7837    7.6435   15.1286  C     
6    C        -2.6448    8.1941   14.1500  C     
7    C        -3.3474    7.3240   13.1643  C     
8    N        -3.8248    6.1204   13.7755  N     
9    C        -4.9658    5.4660   13.5415  C     
10   O        -5.7867    5.9307   12.7460  O     
11   C        -5.2327    4.2877   14.2454  C     
12   C        -6.5176    4.0423   14.7924  C     
13   C        -4.2161    3.3166   14.4870  C     
14   C        -4.4780    2.1678   15.2581  C     
15   C        -5.7571    1.9509   15.8049  C     
16   C        -6.7710    2.9036   15.5841  C     
17   S        -6.0941    0.5086   16.7195  S     
18   O        -5.2977    0.6653   18.0829  O     
19   O        -7.6386    0.3130   17.0396  O     
20   N        -5.4353   -0.8631   16.0101  N     
21   F        -1.5776    6.3551   15.1709  F     
22   F        -2.0508   11.7393   14.7900  F     
23   H        -3.3307   10.0432   13.3522  H     
24   H        -0.6661   10.4717   16.5726  H     
25   H        -0.5034    8.0579   16.7628  H     
26   H        -4.1480    7.8781   12.6586  H     
27   H        -2.6181    7.0254   12.4054  H     
28   H        -3.2156    5.7116   14.4254  H     
29   H        -7.2802    4.7107   14.6393  H     
30   H        -3.2709    3.4368   14.1102  H     
31   H        -3.7124    1.5093   15.4335  H     
32   H        -7.6978    2.7866   15.9974  H     
33   H        -5.1280   -1.5858   16.5841  H     
34   H        -5.1161   -0.8319   15.0936  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	| 5.5647
  Crash		| -1.8168
  Polar		| 3.1811
  FragIndex	| 1
  FragRMSD	| 0.325

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


@<TRIPOS>ATOM
1    C        -1.7865    7.8912   15.1678  C     
2    C        -1.0298    8.7204   16.0138  C     
3    C        -1.1795   10.1139   15.9447  C     
4    C        -2.0894   10.6704   15.0246  C     
5    C        -2.8850    9.8370   14.2144  C     
6    C        -2.7505    8.4259   14.2798  C     
7    C        -3.5468    7.5202   13.3973  C     
8    N        -4.0482    6.3691   14.0956  N     
9    C        -4.9470    5.5013   13.6296  C     
10   O        -5.5495    5.7329   12.5833  O     
11   C        -5.2215    4.3383   14.3502  C     
12   C        -6.5488    4.0032   14.7164  C     
13   C        -4.1714    3.4814   14.7832  C     
14   C        -4.4456    2.3344   15.5510  C     
15   C        -5.7661    2.0201   15.9192  C     
16   C        -6.8102    2.8778   15.5204  C     
17   S        -6.1156    0.5654   16.8184  S     
18   O        -5.3251    0.6967   18.1909  O     
19   O        -7.6651    0.3952   17.1425  O     
20   N        -5.5025   -0.8182   16.1015  N     
21   F        -3.7050   10.4048   13.3699  F     
22   F        -1.5310    6.6101   15.1931  F     
23   H        -0.3598    8.3130   16.6638  H     
24   H        -0.6080   10.7256   16.5402  H     
25   H        -2.1643   11.6934   14.9598  H     
26   H        -4.3768    8.0615   12.9229  H     
27   H        -2.8998    7.1524   12.6036  H     
28   H        -3.6346    6.1567   14.9601  H     
29   H        -7.3235    4.6138   14.4408  H     
30   H        -3.1984    3.6900   14.5413  H     
31   H        -3.6681    1.7424   15.8544  H     
32   H        -7.7686    2.7020   15.8304  H     
33   H        -5.1862   -1.5399   16.6746  H     
34   H        -5.1867   -0.7998   15.1794  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	| 5.2943
  Crash		| -1.8728
  Polar		| 2.9972
  FragIndex	| 1
  FragRMSD	| 0.284

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


@<TRIPOS>ATOM
1    C        -1.8145    7.7372   15.1125  C     
2    C        -1.0705    8.5570   15.9776  C     
3    C        -1.1513    9.9557   15.8715  C     
4    C        -1.9968   10.5334   14.9032  C     
5    C        -2.7717    9.7129   14.0570  C     
6    C        -2.7113    8.2976   14.1694  C     
7    C        -3.5502    7.4199   13.2996  C     
8    N        -3.9558    6.2059   13.9423  N     
9    C        -4.9285    5.3945   13.5435  C     
10   O        -5.6570    5.6769   12.5967  O     
11   C        -5.2004    4.2733   14.3148  C     
12   C        -4.1859    3.3478   14.6609  C     
13   C        -6.4976    4.0656   14.8298  C     
14   C        -6.7808    2.9590   15.6484  C     
15   C        -5.7837    2.0088   15.9391  C     
16   C        -4.4783    2.2208   15.4551  C     
17   S        -6.1777    0.5885   16.8702  S     
18   O        -5.3975    0.7179   18.2494  O     
19   O        -7.7372    0.4453   17.1619  O     
20   N        -5.5843   -0.8117   16.1565  N     
21   F        -3.5355   10.2888   13.1622  F     
22   F        -0.4129   10.7005   16.6502  F     
23   F        -2.0558   11.8386   14.7937  F     
24   H        -1.7014    6.7229   15.1942  H     
25   H        -0.4704    8.1303   16.6864  H     
26   H        -4.4475    7.9580   12.9950  H     
27   H        -2.9891    7.1696   12.4034  H     
28   H        -3.5159    5.9682   14.7780  H     
29   H        -3.2307    3.4721   14.3151  H     
30   H        -7.2442    4.7339   14.6250  H     
31   H        -7.7218    2.8569   16.0313  H     
32   H        -3.7326    1.5507   15.6655  H     
33   H        -5.2745   -1.5315   16.7276  H     
34   H        -5.2868   -0.7850   15.2320  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	| 5.5831
  Crash		| -1.5532
  Polar		| 3.0335
  FragIndex	| 1
  FragRMSD	| 0.247

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


@<TRIPOS>ATOM
1    C        -2.8135    9.2811   14.5086  C     
2    C        -1.8799   10.0959   15.1774  C     
3    C        -0.5071    9.7957   15.1273  C     
4    C        -0.0746    8.6665   14.4125  C     
5    C        -1.0023    7.8312   13.7614  C     
6    C        -2.3882    8.1340   13.7876  C     
7    C        -3.3556    7.2787   13.0409  C     
8    N        -3.6970    6.1031   13.7887  N     
9    C        -4.7863    5.3644   13.5952  C     
10   O        -5.5937    5.6950   12.7303  O     
11   C        -5.0743    4.2635   14.4027  C     
12   C        -6.4104    3.9930   14.7958  C     
13   C        -4.0633    3.3713   14.8418  C     
14   C        -4.3798    2.2398   15.6178  C     
15   C        -5.7146    1.9837   15.9917  C     
16   C        -6.7218    2.8819   15.5915  C     
17   S        -6.1300    0.5543   16.8936  S     
18   O        -5.3890    0.6602   18.2947  O     
19   O        -7.6928    0.3963   17.1448  O     
20   N        -5.5201   -0.8209   16.1434  N     
21   F        -0.5468    6.7855   13.1200  F     
22   F         0.3575   10.5602   15.7382  F     
23   F        -4.0731    9.6170   14.5922  F     
24   H        -2.1946   10.9270   15.6855  H     
25   H         0.9226    8.4583   14.3581  H     
26   H        -4.2690    7.8308   12.8225  H     
27   H        -2.9166    6.9888   12.0801  H     
28   H        -3.1123    5.8605   14.5209  H     
29   H        -7.1709    4.6193   14.5203  H     
30   H        -3.0845    3.5217   14.5812  H     
31   H        -3.6330    1.5982   15.8948  H     
32   H        -7.6944    2.7286   15.8697  H     
33   H        -5.2019   -1.5614   16.6879  H     
34   H        -5.2878   -0.7896   15.1954  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	| 5.2253
  Crash		| -0.9647
  Polar		| 2.8634
  FragIndex	| 1
  FragRMSD	| 0.173

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


@<TRIPOS>ATOM
1    C        -2.4296    8.7244   14.2487  C     
2    C        -2.6148    9.9871   14.8386  C     
3    C        -3.7311   10.7766   14.4900  C     
4    C        -4.6394   10.3041   13.5182  C     
5    C        -4.4322    9.0541   12.9041  C     
6    C        -3.3277    8.2440   13.2664  C     
7    C        -3.0939    6.9230   12.6209  C     
8    N        -3.5189    5.8456   13.4734  N     
9    C        -4.7475    5.3404   13.5563  C     
10   O        -5.6317    5.8504   12.8661  O     
11   C        -5.0598    4.2665   14.3953  C     
12   C        -6.4096    3.9488   14.6953  C     
13   C        -4.0573    3.4385   14.9720  C     
14   C        -4.3932    2.3285   15.7720  C     
15   C        -5.7446    2.0201   16.0327  C     
16   C        -6.7487    2.8543   15.5072  C     
17   S        -6.1569    0.5957   16.9490  S     
18   O        -5.3788    0.6965   18.3300  O     
19   O        -7.7180    0.4278   17.2170  O     
20   N        -5.5585   -0.7721   16.1928  N     
21   F        -3.9181   11.9433   15.0561  F     
22   F        -5.6826   11.0265   13.1853  F     
23   F        -1.7512   10.4171   15.7203  F     
24   H        -1.6276    8.1559   14.5303  H     
25   H        -5.0943    8.7325   12.1934  H     
26   H        -3.5891    6.8525   11.6600  H     
27   H        -2.0262    6.8080   12.4345  H     
28   H        -2.8213    5.4216   14.0036  H     
29   H        -7.1746    4.5163   14.3220  H     
30   H        -3.0658    3.6082   14.7929  H     
31   H        -3.6472    1.7363   16.1504  H     
32   H        -7.7330    2.6627   15.7027  H     
33   H        -5.2433   -1.5152   16.7380  H     
34   H        -5.2603   -0.7145   15.2684  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	| 4.9694
  Crash		| -0.9075
  Polar		| 2.6962
  FragIndex	| 1
  FragRMSD	| 0.280

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


@<TRIPOS>ATOM
1    C        -4.5380    8.9872   12.8991  C     
2    C        -4.8346   10.2693   13.4123  C     
3    C        -3.9509   10.8840   14.3187  C     
4    C        -2.7811   10.2187   14.7272  C     
5    C        -2.4820    8.9389   14.2162  C     
6    C        -3.3536    8.3101   13.2869  C     
7    C        -3.0700    6.9575   12.7420  C     
8    N        -3.5904    5.9481   13.6203  N     
9    C        -4.7704    5.3352   13.5493  C     
10   O        -5.6062    5.7302   12.7382  O     
11   C        -5.0803    4.2601   14.3896  C     
12   C        -6.4212    3.9880   14.7794  C     
13   C        -4.0731    3.3786   14.8764  C     
14   C        -4.3996    2.2528   15.6570  C     
15   C        -5.7363    1.9935   16.0192  C     
16   C        -6.7392    2.8853   15.5926  C     
17   S        -6.1513    0.5669   16.9390  S     
18   O        -5.3773    0.6872   18.3191  O     
19   O        -7.7131    0.4517   17.2075  O     
20   N        -5.5568   -0.8149   16.1881  N     
21   F        -1.3874    8.3377   14.6259  F     
22   F        -5.3768    8.4508   12.0564  F     
23   F        -1.9635   10.7862   15.5857  F     
24   F        -4.2123   12.0793   14.7728  F     
25   F        -5.9271   10.8911   13.0470  F     
26   H        -3.4461    6.8760   11.7194  H     
27   H        -1.9881    6.7859   12.6892  H     
28   H        -3.0038    5.6624   14.3244  H     
29   H        -7.1865    4.6036   14.4782  H     
30   H        -3.0863    3.5111   14.6335  H     
31   H        -3.6506    1.6199   15.9600  H     
32   H        -7.7203    2.7375   15.8622  H     
33   H        -5.2594   -1.5510   16.7526  H     
34   H        -5.2742   -0.7876   15.2589  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	| 5.1723
  Crash		| -0.8707
  Polar		| 2.8357
  FragIndex	| 1
  FragRMSD	| 0.228