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


@<TRIPOS>ATOM
1    C        -1.4967    8.0578   12.5385  C     
2    C        -0.1155    8.1998   12.7654  C     
3    C         0.3547    8.4824   14.0554  C     
4    C        -0.5591    8.6738   15.1099  C     
5    C        -1.9405    8.5190   14.8847  C     
6    C        -2.4230    8.1842   13.6003  C     
7    C        -3.8701    7.9348   13.3759  C     
8    N        -4.3958    6.7924   14.0671  N     
9    C        -3.7992    5.6092   14.2568  C     
10   O        -2.6338    5.4819   13.8655  O     
11   C        -4.3965    4.5458   14.9481  C     
12   C        -5.8084    4.4457   15.1068  C     
13   C        -3.6132    3.4986   15.5056  C     
14   C        -4.2055    2.4072   16.1783  C     
15   C        -5.6011    2.3235   16.3126  C     
16   C        -6.4013    3.3513   15.7836  C     
17   S        -6.2881    0.9521   17.1371  S     
18   O        -6.0944   -0.2856   16.1633  O     
19   O        -5.4977    0.6219   18.4743  O     
20   N        -7.9432    0.9651   17.4239  N     
21   H        -1.8227    7.8559   11.5862  H     
22   H         0.5406    8.1058   11.9873  H     
23   H         1.3611    8.5511   14.2290  H     
24   H        -0.2215    8.9369   16.0348  H     
25   H        -2.5917    8.6636   15.6590  H     
26   H        -4.4342    8.8099   13.6883  H     
27   H        -4.0771    7.7861   12.3157  H     
28   H        -5.3036    6.8722   14.4358  H     
29   H        -6.4190    5.1550   14.7003  H     
30   H        -2.5905    3.5139   15.4335  H     
31   H        -3.6062    1.6850   16.5742  H     
32   H        -7.4144    3.3140   15.8851  H     
33   H        -8.4081    0.1108   17.4951  H     
34   H        -8.4609    1.7727   17.2721  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	| 4.9186
  Crash		| -1.0160
  Polar		| 2.8729
  FragIndex	| 1
  FragRMSD	| 1.290

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


@<TRIPOS>ATOM
1    C        -1.7043    8.1978   14.5293  C     
2    C        -0.4462    8.6549   14.9595  C     
3    C         0.6585    8.5871   14.0941  C     
4    C         0.5084    8.0480   12.8055  C     
5    C        -0.7501    7.5895   12.3708  C     
6    C        -1.8780    7.6659   13.2284  C     
7    C        -3.2350    7.2352   12.8018  C     
8    N        -3.6729    6.1188   13.5859  N     
9    C        -4.6777    6.0824   14.4568  C     
10   O        -5.3185    7.1081   14.6629  O     
11   C        -5.0431    4.8975   15.1134  C     
12   C        -6.3737    4.7043   15.5726  C     
13   C        -4.1204    3.8409   15.3378  C     
14   C        -4.5140    2.6425   15.9617  C     
15   C        -5.8473    2.4615   16.3790  C     
16   C        -6.7718    3.5077   16.1928  C     
17   S        -6.3324    0.9708   17.1357  S     
18   O        -6.0166   -0.2274   16.1419  O     
19   O        -5.5283    0.7358   18.4847  O     
20   N        -7.9805    0.8575   17.4232  N     
21   F        -0.8371    7.0997   11.1623  F     
22   H        -2.4981    8.2641   15.1718  H     
23   H        -0.3367    9.0404   15.9006  H     
24   H         1.5729    8.9238   14.4025  H     
25   H         1.3188    7.9959   12.1833  H     
26   H        -3.9068    8.0942   12.8704  H     
27   H        -3.2485    6.9120   11.7603  H     
28   H        -3.1937    5.2908   13.4348  H     
29   H        -7.0821    5.4319   15.4479  H     
30   H        -3.1413    3.9275   15.0559  H     
31   H        -3.8209    1.9026   16.1046  H     
32   H        -7.7416    3.4124   16.5030  H     
33   H        -8.3993   -0.0138   17.3936  H     
34   H        -8.5327    1.6503   17.3492  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	| 4.7531
  Crash		| -1.1017
  Polar		| 2.7332
  FragIndex	| 1
  FragRMSD	| 0.848

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


@<TRIPOS>ATOM
1    C        -1.4892    8.1556   12.4623  C     
2    C        -0.1178    8.3667   12.6997  C     
3    C         0.3356    8.6283   14.0061  C     
4    C        -0.5914    8.7433   15.0586  C     
5    C        -1.9660    8.5346   14.8191  C     
6    F         1.6126    8.7675   14.2333  F     
7    C        -2.4258    8.2207   13.5164  C     
8    C        -3.8563    7.8499   13.2959  C     
9    N        -4.3432    6.7321   14.0540  N     
10   C        -3.7852    5.5169   14.1829  C     
11   O        -2.6855    5.3048   13.6656  O     
12   C        -4.3712    4.4963   14.9243  C     
13   C        -3.5855    3.4704   15.4970  C     
14   C        -5.7734    4.4057   15.0953  C     
15   C        -6.3655    3.3250   15.7815  C     
16   C        -5.5655    2.3016   16.3265  C     
17   C        -4.1708    2.3908   16.1857  C     
18   S        -6.2482    0.9281   17.1571  S     
19   O        -6.0408   -0.3040   16.1856  O     
20   O        -5.4581    0.6080   18.4957  O     
21   N        -7.9080    0.9725   17.3943  N     
22   H        -1.7989    7.9733   11.4998  H     
23   H         0.5474    8.3132   11.9260  H     
24   H        -0.2749    8.9746   15.9983  H     
25   H        -2.6259    8.6293   15.5928  H     
26   H        -4.4636    8.7178   13.5619  H     
27   H        -4.0448    7.6408   12.2409  H     
28   H        -5.1746    6.8569   14.5418  H     
29   H        -2.5607    3.4892   15.4266  H     
30   H        -6.3912    5.1085   14.6853  H     
31   H        -7.3778    3.2824   15.8759  H     
32   H        -3.5761    1.6673   16.5850  H     
33   H        -8.3999    0.1460   17.3077  H     
34   H        -8.3737    1.8170   17.3089  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	| 4.7059
  Crash		| -0.8881
  Polar		| 2.8118
  FragIndex	| 1
  FragRMSD	| 1.274

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


@<TRIPOS>ATOM
1    C        -0.7364    7.5886   12.3416  C     
2    C         0.5158    8.0632   12.7700  C     
3    C         0.6494    8.6493   14.0409  C     
4    C        -0.4696    8.7605   14.8876  C     
5    C        -1.7289    8.2889   14.4571  C     
6    C        -1.8731    7.6914   13.1766  C     
7    C        -3.1928    7.2008   12.7024  C     
8    N        -3.6201    6.0900   13.4990  N     
9    C        -4.7069    6.0199   14.2683  C     
10   O        -5.4412    7.0007   14.3415  O     
11   C        -5.0508    4.8526   14.9582  C     
12   C        -6.3285    4.7219   15.5643  C     
13   C        -4.1602    3.7531   15.0822  C     
14   C        -4.5421    2.5717   15.7423  C     
15   C        -5.8292    2.4489   16.2957  C     
16   C        -6.7141    3.5411   16.2224  C     
17   S        -6.3020    0.9666   17.0810  S     
18   O        -6.0307   -0.2357   16.0797  O     
19   O        -5.4358    0.7607   18.4003  O     
20   N        -7.9383    0.8757   17.4408  N     
21   F        -2.7546    8.4203   15.2566  F     
22   F        -0.3302    9.3107   16.0643  F     
23   H        -0.8083    7.1736   11.4087  H     
24   H         1.3331    7.9834   12.1581  H     
25   H         1.5652    8.9976   14.3446  H     
26   H        -3.8959    8.0380   12.7173  H     
27   H        -3.1440    6.8488   11.6705  H     
28   H        -3.0618    5.3000   13.4493  H     
29   H        -7.0109    5.4848   15.5200  H     
30   H        -3.2172    3.7914   14.6929  H     
31   H        -3.8769    1.7981   15.8044  H     
32   H        -7.6481    3.4908   16.6359  H     
33   H        -8.3235    0.0027   17.6078  H     
34   H        -8.5214    1.6072   17.1853  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	| 4.6662
  Crash		| -0.8658
  Polar		| 2.8225
  FragIndex	| 1
  FragRMSD	| 0.834

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


@<TRIPOS>ATOM
1    C        -1.4200    8.0519   12.4611  C     
2    C        -0.0496    8.2294   12.7363  C     
3    C         0.3713    8.4703   14.0530  C     
4    C        -0.5808    8.5815   15.0817  C     
5    C        -1.9479    8.3738   14.8162  C     
6    C        -2.3834    8.0965   13.4996  C     
7    C        -3.8131    7.7843   13.2092  C     
8    N        -4.3430    6.6286   13.8775  N     
9    C        -3.7301    5.4620   14.1278  C     
10   O        -2.5653    5.3204   13.7565  O     
11   C        -4.3399    4.4241   14.8345  C     
12   C        -5.7499    4.2999   14.9344  C     
13   C        -3.5596    3.4238   15.4690  C     
14   C        -4.1561    2.3532   16.1639  C     
15   C        -5.5532    2.2489   16.2478  C     
16   C        -6.3474    3.2295   15.6318  C     
17   S        -6.2698    0.9179   17.1160  S     
18   O        -6.0298   -0.3794   16.2339  O     
19   O        -5.5380    0.6868   18.5058  O     
20   N        -7.9282    1.0080   17.3453  N     
21   F        -2.8008    8.4801   15.7988  F     
22   F         0.8188    8.1907   11.7606  F     
23   H        -1.7158    7.9155   11.4872  H     
24   H         1.3633    8.5948   14.2612  H     
25   H        -0.2742    8.8085   16.0317  H     
26   H        -4.4208    8.6436   13.5127  H     
27   H        -3.9733    7.6348   12.1380  H     
28   H        -5.2566    6.7047   14.2034  H     
29   H        -6.3600    4.9739   14.4764  H     
30   H        -2.5318    3.4667   15.4492  H     
31   H        -3.5673    1.6601   16.6230  H     
32   H        -7.3607    3.1765   15.6895  H     
33   H        -8.4233    0.1881   17.5000  H     
34   H        -8.4017    1.8475   17.2190  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	| 4.6931
  Crash		| -0.9887
  Polar		| 2.6707
  FragIndex	| 1
  FragRMSD	| 1.265

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


@<TRIPOS>ATOM
1    C        -1.7931    8.4217   14.4093  C     
2    C        -0.4764    8.7560   14.8130  C     
3    C         0.6194    8.4865   13.9732  C     
4    C         0.4007    7.8748   12.7308  C     
5    C        -0.9002    7.4887   12.3442  C     
6    C        -2.0216    7.7381   13.1831  C     
7    C        -3.3568    7.2053   12.7844  C     
8    N        -3.7874    6.0170   13.4568  N     
9    C        -4.3699    5.9758   14.6550  C     
10   O        -4.5032    7.0018   15.3350  O     
11   C        -4.8166    4.7945   15.1796  C     
12   C        -6.1704    4.6552   15.5603  C     
13   C        -3.9127    3.7328   15.4241  C     
14   C        -4.3666    2.5474   16.0310  C     
15   C        -5.7312    2.3955   16.3709  C     
16   C        -6.6253    3.4617   16.1426  C     
17   S        -6.2736    0.9202   17.1143  S     
18   O        -6.0353   -0.2595   16.0787  O     
19   O        -5.4327    0.6383   18.4339  O     
20   N        -7.9236    0.8906   17.4281  N     
21   F        -1.0407    6.8726   11.2022  F     
22   F        -2.7713    8.7480   15.2107  F     
23   H        -0.3085    9.1665   15.7348  H     
24   H         1.5621    8.7299   14.2750  H     
25   H         1.1964    7.6809   12.1209  H     
26   H        -4.1022    7.9976   12.9015  H     
27   H        -3.3156    6.9480   11.7233  H     
28   H        -3.7028    5.1777   12.9729  H     
29   H        -6.8321    5.4135   15.4131  H     
30   H        -2.9235    3.8290   15.1949  H     
31   H        -3.6941    1.8044   16.2349  H     
32   H        -7.6044    3.3892   16.4136  H     
33   H        -8.3709    0.0368   17.5205  H     
34   H        -8.4546    1.6963   17.2841  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	| 4.8114
  Crash		| -1.0887
  Polar		| 2.7751
  FragIndex	| 1
  FragRMSD	| 0.888

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


@<TRIPOS>ATOM
1    C        -1.7477    8.2365   14.5203  C     
2    C        -0.4527    8.6399   14.9071  C     
3    C         0.6272    8.5108   14.0080  C     
4    C         0.4129    7.9408   12.7480  C     
5    C        -0.8847    7.5431   12.3569  C     
6    C        -1.9893    7.7157   13.2308  C     
7    C        -3.3458    7.3095   12.7984  C     
8    N        -3.7374    6.1356   13.5261  N     
9    C        -4.5482    6.1104   14.5798  C     
10   O        -4.9690    7.1621   15.0736  O     
11   C        -4.9309    4.9058   15.1495  C     
12   C        -6.2864    4.7155   15.5224  C     
13   C        -4.0147    3.8443   15.3501  C     
14   C        -4.4347    2.6455   15.9266  C     
15   C        -5.7872    2.4691   16.3018  C     
16   C        -6.7097    3.5086   16.0802  C     
17   S        -6.2743    1.0023   17.0996  S     
18   O        -6.0398   -0.2264   16.1085  O     
19   O        -5.3697    0.7685   18.3924  O     
20   N        -7.9089    0.8875   17.4888  N     
21   F        -1.0285    7.0072   11.1634  F     
22   F         1.8175    8.9024   14.3457  F     
23   F        -2.7107    8.3361   15.4078  F     
24   H        -0.2868    9.0180   15.8393  H     
25   H         1.2014    7.7982   12.1011  H     
26   H        -4.0811    8.1022   12.9312  H     
27   H        -3.3430    7.0742   11.7421  H     
28   H        -3.3849    5.2924   13.2025  H     
29   H        -6.9804    5.4525   15.3728  H     
30   H        -3.0347    3.9510   15.0893  H     
31   H        -3.7558    1.8959   16.0679  H     
32   H        -7.7003    3.3966   16.3301  H     
33   H        -8.2881   -0.0023   17.6110  H     
34   H        -8.4932    1.6426   17.3365  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	| 4.7496
  Crash		| -1.2206
  Polar		| 2.9008
  FragIndex	| 1
  FragRMSD	| 0.835

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


@<TRIPOS>ATOM
1    C        -0.6798    7.5318   12.4048  C     
2    C         0.5753    8.0083   12.8274  C     
3    C         0.7009    8.6586   14.0707  C     
4    C        -0.4282    8.8087   14.9008  C     
5    C        -1.6827    8.3297   14.4747  C     
6    C        -1.8285    7.6944   13.2199  C     
7    C        -3.1652    7.2402   12.7668  C     
8    N        -3.6080    6.1314   13.5625  N     
9    C        -4.6844    6.0623   14.3438  C     
10   O        -5.3941    7.0600   14.4541  O     
11   C        -5.0384    4.8876   15.0188  C     
12   C        -6.3259    4.7367   15.5993  C     
13   C        -4.1439    3.7894   15.1440  C     
14   C        -4.5244    2.5962   15.7861  C     
15   C        -5.8188    2.4611   16.3205  C     
16   C        -6.7120    3.5488   16.2400  C     
17   S        -6.2965    0.9799   17.1096  S     
18   O        -6.0342   -0.2280   16.1143  O     
19   O        -5.4261    0.7625   18.4236  O     
20   N        -7.9375    0.8815   17.4534  N     
21   F         1.8575    9.1324   14.4478  F     
22   F        -0.3293    9.4058   16.0594  F     
23   F         1.6121    7.8580   12.0483  F     
24   H        -0.7521    7.0753   11.4936  H     
25   H        -2.5007    8.4598   15.0807  H     
26   H        -3.8490    8.0928   12.8004  H     
27   H        -3.1371    6.9010   11.7294  H     
28   H        -3.0613    5.3295   13.4956  H     
29   H        -7.0153    5.4922   15.5447  H     
30   H        -3.1948    3.8404   14.7689  H     
31   H        -3.8431    1.8341   15.8543  H     
32   H        -7.6469    3.4874   16.6486  H     
33   H        -8.3346    0.0066   17.6065  H     
34   H        -8.5080    1.6502   17.3027  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	| 4.6860
  Crash		| -1.0204
  Polar		| 2.8620
  FragIndex	| 1
  FragRMSD	| 0.811

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


@<TRIPOS>ATOM
1    C        -1.6516    8.2933   14.4688  C     
2    C        -0.4038    8.7998   14.8855  C     
3    C         0.7268    8.6546   14.0599  C     
4    C         0.6153    7.9867   12.8265  C     
5    C        -0.6310    7.4799   12.4065  C     
6    C        -1.7846    7.6334   13.2188  C     
7    C        -3.1210    7.1479   12.7736  C     
8    N        -3.5557    6.0618   13.6002  N     
9    C        -4.6732    5.9885   14.3208  C     
10   O        -5.4378    6.9505   14.3268  O     
11   C        -5.0235    4.8237   15.0202  C     
12   C        -4.1032    3.7664   15.2442  C     
13   C        -6.3404    4.6485   15.5192  C     
14   C        -6.7292    3.4664   16.1712  C     
15   C        -5.8089    2.4195   16.3606  C     
16   C        -4.4871    2.5852   15.9069  C     
17   S        -6.2838    0.9425   17.1497  S     
18   O        -6.0263   -0.2491   16.1312  O     
19   O        -5.4158    0.7015   18.4582  O     
20   N        -7.9176    0.8451   17.5131  N     
21   F        -0.6900    6.8723   11.2480  F     
22   F        -2.6855    8.4640   15.2546  F     
23   F         1.6719    7.8444   12.0682  F     
24   F         1.8817    9.1360   14.4369  F     
25   F        -0.2970    9.4160   16.0346  F     
26   H        -3.8155    7.9919   12.7735  H     
27   H        -3.0983    6.7679   11.7518  H     
28   H        -2.9870    5.2764   13.5927  H     
29   H        -3.1333    3.8392   14.9318  H     
30   H        -7.0488    5.3770   15.3963  H     
31   H        -7.6924    3.3821   16.5002  H     
32   H        -3.7944    1.8444   16.0474  H     
33   H        -8.3330   -0.0297   17.5521  H     
34   H        -8.4765    1.6292   17.4042  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	| 4.6608
  Crash		| -1.1052
  Polar		| 2.8111
  FragIndex	| 1
  FragRMSD	| 0.771