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


@<TRIPOS>ATOM
1    C        -2.0107    8.0245   13.9218  C     
2    C        -1.4065    8.8071   14.9270  C     
3    C        -0.8352    8.1922   16.0510  C     
4    C        -0.8657    6.7851   16.1714  C     
5    C        -1.4643    6.0062   15.1615  C     
6    C        -2.0572    6.6033   14.0314  C     
7    C        -2.6618    5.7692   12.9610  C     
8    N        -3.6124    4.8679   13.5358  N     
9    C        -3.6464    3.5462   13.4546  C     
10   O        -2.8542    2.9930   12.6892  O     
11   C        -4.5352    2.7679   14.2120  C     
12   C        -4.5679    1.3556   14.0992  C     
13   C        -5.4216    3.3642   15.1547  C     
14   C        -6.2648    2.5879   15.9647  C     
15   C        -6.2499    1.1849   15.8637  C     
16   C        -5.4061    0.5735   14.9164  C     
17   S        -7.2067    0.2278   16.9569  S     
18   O        -8.5888    0.9486   17.2553  O     
19   O        -7.4729   -1.1973   16.3011  O     
20   N        -6.3932   -0.0269   18.4094  N     
21   H        -2.4246    8.4953   13.1170  H     
22   H        -1.3722    9.8276   14.8320  H     
23   H        -0.3843    8.7534   16.7783  H     
24   H        -0.4450    6.3372   16.9864  H     
25   H        -1.4551    4.9849   15.2631  H     
26   H        -3.1949    6.3901   12.2317  H     
27   H        -1.8554    5.2468   12.4386  H     
28   H        -4.3192    5.2865   14.0476  H     
29   H        -3.9491    0.8693   13.4476  H     
30   H        -5.4307    4.3723   15.3063  H     
31   H        -6.8627    3.0519   16.6482  H     
32   H        -5.3649   -0.4454   14.8411  H     
33   H        -6.7736   -0.6234   19.0803  H     
34   H        -5.6305    0.5324   18.6322  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	| 3.9431
  Crash		| -1.6212
  Polar		| 1.6522
  FragIndex	| 1
  FragRMSD	| 1.281

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


@<TRIPOS>ATOM
1    C        -1.1042    6.6673   15.1311  C     
2    C        -1.3481    7.9115   15.7408  C     
3    C        -2.1740    8.8561   15.1014  C     
4    C        -2.7664    8.5497   13.8620  C     
5    C        -2.5426    7.2940   13.2638  C     
6    C        -1.6981    6.3319   13.8868  C     
7    C        -1.3892    5.0148   13.2517  C     
8    N        -2.2360    3.9675   13.7340  N     
9    C        -3.5378    3.8409   13.5173  C     
10   O        -4.1012    4.6073   12.7409  O     
11   C        -4.2922    2.9280   14.2546  C     
12   C        -5.6533    3.1896   14.5704  C     
13   C        -3.7115    1.7432   14.7795  C     
14   C        -4.4408    0.8813   15.6163  C     
15   C        -5.7826    1.1745   15.9452  C     
16   C        -6.3871    2.3314   15.4110  C     
17   S        -6.6483    0.1501   17.0492  S     
18   O        -6.3986   -1.3409   16.5628  O     
19   O        -6.0987    0.2241   18.5383  O     
20   N        -8.3181    0.3345   17.0322  N     
21   F        -3.1335    7.0523   12.1218  F     
22   H        -0.4868    6.0047   15.6058  H     
23   H        -0.9120    8.1355   16.6407  H     
24   H        -2.3423    9.7616   15.5445  H     
25   H        -3.3495    9.2490   13.3935  H     
26   H        -1.4404    5.0417   12.1665  H     
27   H        -0.3626    4.7648   13.5105  H     
28   H        -1.8249    3.3320   14.3373  H     
29   H        -6.1106    4.0413   14.2275  H     
30   H        -2.7380    1.4991   14.5641  H     
31   H        -3.9812    0.0451   15.9929  H     
32   H        -7.3537    2.5725   15.6497  H     
33   H        -8.8896   -0.4346   16.8727  H     
34   H        -8.7120    1.2011   17.2106  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	| 2.6487
  Crash		| -1.5004
  Polar		| 1.7103
  FragIndex	| 1
  FragRMSD	| 1.165

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


@<TRIPOS>ATOM
1    C        -1.2903    6.8095   15.2447  C     
2    C        -1.3536    8.1196   15.7562  C     
3    C        -1.9102    9.1530   14.9779  C     
4    C        -2.4092    8.8739   13.6936  C     
5    C        -2.3406    7.5662   13.1823  C     
6    F        -1.9704   10.3708   15.4357  F     
7    C        -1.7797    6.5167   13.9479  C     
8    C        -1.7343    5.1323   13.4152  C     
9    N        -2.7628    4.3566   14.0277  N     
10   C        -3.1901    3.1633   13.6330  C     
11   O        -2.6694    2.6301   12.6589  O     
12   C        -4.1929    2.4978   14.3430  C     
13   C        -5.1143    3.2014   15.1643  C     
14   C        -4.3081    1.0843   14.2890  C     
15   C        -5.2578    0.3991   15.0679  C     
16   C        -6.1372    1.1133   15.9063  C     
17   C        -6.0726    2.5204   15.9339  C     
18   S        -7.2427    0.2665   16.9493  S     
19   O        -8.5859    1.0842   17.1735  O     
20   O        -7.5446   -1.1467   16.2931  O     
21   N        -6.5203   -0.0475   18.4285  N     
22   H        -0.8834    6.0690   15.8244  H     
23   H        -0.9968    8.3159   16.6960  H     
24   H        -2.8206    9.6208   13.1276  H     
25   H        -2.7114    7.3831   12.2465  H     
26   H        -1.8876    5.1217   12.3307  H     
27   H        -0.7541    4.6915   13.6183  H     
28   H        -3.1833    4.7360   14.8161  H     
29   H        -5.0948    4.2221   15.2212  H     
30   H        -3.6682    0.5293   13.7144  H     
31   H        -5.2901   -0.6228   15.0279  H     
32   H        -6.7051    3.0599   16.5304  H     
33   H        -6.9507   -0.6555   19.0522  H     
34   H        -5.8140    0.5412   18.7404  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	| 2.9033
  Crash		| -1.6260
  Polar		| 1.6388
  FragIndex	| 1
  FragRMSD	| 1.006

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


@<TRIPOS>ATOM
1    C        -1.3738    5.8566   15.0422  C     
2    C        -0.9750    6.7355   16.0664  C     
3    C        -1.1677    8.1226   15.9184  C     
4    C        -1.7760    8.6252   14.7531  C     
5    C        -2.1856    7.7406   13.7279  C     
6    C        -1.9772    6.3413   13.8583  C     
7    C        -2.3918    5.3732   12.8100  C     
8    N        -3.4061    4.5268   13.3578  N     
9    C        -3.4297    3.1995   13.3873  C     
10   O        -2.5836    2.5811   12.7480  O     
11   C        -4.3650    2.5043   14.1694  C     
12   C        -5.3984    3.1746   14.8778  C     
13   C        -4.2770    1.0944   14.3260  C     
14   C        -5.1565    0.3925   15.1711  C     
15   C        -6.1532    1.0875   15.8851  C     
16   C        -6.2750    2.4802   15.7261  C     
17   S        -7.1820    0.2400   16.9969  S     
18   O        -8.5276    1.0370   17.2678  O     
19   O        -7.5072   -1.1723   16.3519  O     
20   N        -6.3860   -0.0668   18.4407  N     
21   F        -2.7761    8.2356   12.6699  F     
22   F        -1.9475    9.9167   14.6344  F     
23   H        -1.2242    4.8517   15.1643  H     
24   H        -0.5402    6.3673   16.9141  H     
25   H        -0.8573    8.7568   16.6570  H     
26   H        -2.8212    5.8663   11.9408  H     
27   H        -1.5038    4.8299   12.4826  H     
28   H        -4.1223    4.9920   13.8197  H     
29   H        -5.5283    4.1849   14.8013  H     
30   H        -3.5533    0.5547   13.8413  H     
31   H        -5.0483   -0.6212   15.2802  H     
32   H        -6.9884    3.0079   16.2365  H     
33   H        -6.8044   -0.6556   19.0917  H     
34   H        -5.6577    0.5168   18.7150  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	| 3.4385
  Crash		| -1.4170
  Polar		| 1.6289
  FragIndex	| 1
  FragRMSD	| 1.236

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


@<TRIPOS>ATOM
1    C        -2.4466    7.5633   13.0594  C     
2    C        -2.6849    8.8039   13.6758  C     
3    C        -2.2683    9.0206   15.0040  C     
4    C        -1.6352    7.9888   15.7149  C     
5    C        -1.3766    6.7529   15.0902  C     
6    F        -2.4689   10.1763   15.5737  F     
7    C        -1.7633    6.5296   13.7427  C     
8    C        -1.4832    5.2523   13.0304  C     
9    N        -2.2463    4.2002   13.6204  N     
10   C        -3.2017    3.4679   13.0603  C     
11   O        -3.5501    3.6772   11.9013  O     
12   C        -3.9057    2.5576   13.8448  C     
13   C        -3.2817    1.8999   14.9331  C     
14   C        -5.2831    2.3103   13.6238  C     
15   C        -6.0283    1.5239   14.5204  C     
16   C        -5.4079    0.9431   15.6434  C     
17   C        -4.0196    1.0929   15.8131  C     
18   S        -6.3524    0.1550   16.8729  S     
19   O        -7.0445   -1.1128   16.2170  O     
20   O        -5.5061   -0.4090   18.1005  O     
21   N        -7.6283    1.0970   17.4125  N     
22   F        -0.7845    5.8222   15.7935  F     
23   H        -2.7545    7.4280   12.0918  H     
24   H        -3.1423    9.5479   13.1524  H     
25   H        -1.3396    8.1443   16.6844  H     
26   H        -1.6917    5.3795   11.9637  H     
27   H        -0.4309    4.9684   13.1109  H     
28   H        -2.0624    4.0266   14.5588  H     
29   H        -2.2795    2.0083   15.1069  H     
30   H        -5.7754    2.7572   12.8456  H     
31   H        -7.0324    1.4173   14.3686  H     
32   H        -3.5402    0.6499   16.5996  H     
33   H        -8.5403    0.8324   17.2221  H     
34   H        -7.4527    1.8937   17.9354  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	| 3.5534
  Crash		| -1.6623
  Polar		| 2.4343
  FragIndex	| 1
  FragRMSD	| 1.253

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


@<TRIPOS>ATOM
1    C        -2.5109    7.6487   13.4152  C     
2    C        -2.5843    8.9605   13.9218  C     
3    C        -2.0139    9.2709   15.1657  C     
4    C        -1.3955    8.2626   15.9253  C     
5    C        -1.3178    6.9497   15.4236  C     
6    C        -1.8477    6.6313   14.1454  C     
7    C        -1.7342    5.2464   13.6112  C     
8    N        -2.6952    4.4075   14.2485  N     
9    C        -3.2823    3.3443   13.7096  C     
10   O        -2.9700    2.9847   12.5794  O     
11   C        -4.2272    2.6138   14.4315  C     
12   C        -5.3430    3.2455   15.0391  C     
13   C        -4.0921    1.2118   14.5943  C     
14   C        -5.0060    0.4800   15.3723  C     
15   C        -6.0936    1.1293   15.9896  C     
16   C        -6.2690    2.5139   15.8022  C     
17   S        -7.1687    0.2532   17.0369  S     
18   O        -8.6118    0.9085   17.1471  O     
19   O        -7.3439   -1.2024   16.4292  O     
20   N        -6.5083    0.0184   18.5617  N     
21   F        -0.7727    6.0289   16.1802  F     
22   F        -3.0913    7.4106   12.2666  F     
23   H        -3.0385    9.6992   13.3793  H     
24   H        -2.0667   10.2267   15.5236  H     
25   H        -1.0023    8.4926   16.8395  H     
26   H        -1.9068    5.2197   12.5306  H     
27   H        -0.7234    4.8646   13.7874  H     
28   H        -2.9310    4.6337   15.1634  H     
29   H        -5.5016    4.2502   14.9291  H     
30   H        -3.3013    0.7110   14.1806  H     
31   H        -4.8570   -0.5238   15.5000  H     
32   H        -7.0517    3.0063   16.2406  H     
33   H        -6.6328   -0.8353   19.0075  H     
34   H        -6.1903    0.7823   19.0664  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	| 3.3531
  Crash		| -1.4405
  Polar		| 1.8742
  FragIndex	| 1
  FragRMSD	| 0.989

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


@<TRIPOS>ATOM
1    C        -1.3242    6.9409   15.2649  C     
2    C        -1.3601    8.2597   15.7546  C     
3    C        -1.9427    9.2843   14.9860  C     
4    C        -2.5119    8.9843   13.7376  C     
5    C        -2.4769    7.6677   13.2420  C     
6    C        -1.8611    6.6290   13.9879  C     
7    C        -1.8082    5.2362   13.4577  C     
8    N        -2.8538    4.4577   14.0362  N     
9    C        -3.1765    3.2118   13.7064  C     
10   O        -2.5486    2.6441   12.8175  O     
11   C        -4.1812    2.5255   14.3960  C     
12   C        -5.2123    3.2135   15.0889  C     
13   C        -4.1822    1.1080   14.4562  C     
14   C        -5.1316    0.4121   15.2247  C     
15   C        -6.1229    1.1163   15.9374  C     
16   C        -6.1724    2.5203   15.8464  C     
17   S        -7.2240    0.2694   16.9828  S     
18   O        -8.5832    1.0606   17.2029  O     
19   O        -7.5194   -1.1412   16.3178  O     
20   N        -6.5104   -0.0580   18.4663  N     
21   F        -3.0453    7.4398   12.0881  F     
22   F        -1.9738   10.5091   15.4315  F     
23   F        -0.7930    6.0212   16.0279  F     
24   H        -0.9665    8.4761   16.6749  H     
25   H        -2.9564    9.7271   13.1904  H     
26   H        -1.9144    5.2227   12.3712  H     
27   H        -0.8386    4.7883   13.6899  H     
28   H        -3.3551    4.8737   14.7546  H     
29   H        -5.2801    4.2332   15.0541  H     
30   H        -3.4609    0.5631   13.9749  H     
31   H        -5.0772   -0.6087   15.2778  H     
32   H        -6.8861    3.0517   16.3524  H     
33   H        -6.8572   -0.7848   19.0091  H     
34   H        -5.9279    0.6063   18.8693  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	| 2.6462
  Crash		| -1.7694
  Polar		| 1.7090
  FragIndex	| 1
  FragRMSD	| 1.017

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


@<TRIPOS>ATOM
1    C        -1.1970    6.6445   15.0285  C     
2    C        -1.4535    7.9060   15.5945  C     
3    C        -2.1119    8.8972   14.8426  C     
4    C        -2.4958    8.6296   13.5158  C     
5    C        -2.2202    7.3738   12.9448  C     
6    C        -1.5661    6.3689   13.6944  C     
7    C        -1.2818    5.0361   13.1041  C     
8    N        -2.1066    4.0262   13.6889  N     
9    C        -3.3933    3.8297   13.4304  C     
10   O        -3.9453    4.4938   12.5606  O     
11   C        -4.1445    2.9393   14.1964  C     
12   C        -5.5453    3.1152   14.3377  C     
13   C        -3.5385    1.8649   14.8982  C     
14   C        -4.2950    1.0165   15.7264  C     
15   C        -5.6766    1.2316   15.8879  C     
16   C        -6.2963    2.2805   15.1802  C     
17   S        -6.5788    0.2595   17.0141  S     
18   O        -6.4762   -1.2162   16.4191  O     
19   O        -5.9006    0.2205   18.4552  O     
20   N        -8.2123    0.6255   17.1210  N     
21   F        -2.3685   10.0598   15.3762  F     
22   F        -3.1059    9.5431   12.8033  F     
23   F        -1.0835    8.1475   16.8216  F     
24   H        -0.7180    5.9311   15.5843  H     
25   H        -2.4920    7.2003   11.9766  H     
26   H        -1.4100    5.0297   12.0195  H     
27   H        -0.2370    4.7854   13.2944  H     
28   H        -1.6975    3.4709   14.3681  H     
29   H        -6.0333    3.8793   13.8525  H     
30   H        -2.5364    1.6823   14.8104  H     
31   H        -3.8233    0.2590   16.2310  H     
32   H        -7.2950    2.4562   15.2822  H     
33   H        -8.8596   -0.0846   17.2602  H     
34   H        -8.4993    1.5543   17.1099  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	| 2.9613
  Crash		| -1.6750
  Polar		| 2.1107
  FragIndex	| 1
  FragRMSD	| 1.215

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


@<TRIPOS>ATOM
1    C        -2.7075    7.5871   13.2344  C     
2    C        -2.7654    8.9108   13.7265  C     
3    C        -2.1192    9.2361   14.9327  C     
4    C        -1.4506    8.2399   15.6671  C     
5    C        -1.4043    6.9210   15.1780  C     
6    C        -2.0115    6.5788   13.9478  C     
7    C        -1.9013    5.1911   13.4245  C     
8    N        -2.9239    4.3926   14.0080  N     
9    C        -3.2647    3.1483   13.6677  C     
10   O        -2.6110    2.5819   12.7922  O     
11   C        -4.2700    2.4649   14.3594  C     
12   C        -5.2304    3.1683   15.1434  C     
13   C        -4.3588    1.0487   14.3259  C     
14   C        -5.2964    0.3546   15.1013  C     
15   C        -6.1931    1.0760   15.9237  C     
16   C        -6.1847    2.4919   15.9073  C     
17   S        -7.2703    0.2387   16.9894  S     
18   O        -8.7196    0.8964   17.0791  O     
19   O        -7.3860   -1.2494   16.4388  O     
20   N        -6.6317    0.1137   18.5439  N     
21   F        -0.7865    6.0124   15.9013  F     
22   F        -3.3522    7.3066   12.1233  F     
23   F        -0.8784    8.5383   16.7996  F     
24   F        -2.1723   10.4615   15.3787  F     
25   F        -3.4144    9.8292   13.0688  F     
26   H        -2.0045    5.1580   12.3405  H     
27   H        -0.9219    4.7925   13.6766  H     
28   H        -3.4143    4.7838   14.7561  H     
29   H        -5.2494    4.1935   15.1675  H     
30   H        -3.7047    0.4977   13.7701  H     
31   H        -5.2974   -0.6596   15.0993  H     
32   H        -6.8356    3.0358   16.4857  H     
33   H        -6.9676   -0.5907   19.1326  H     
34   H        -6.1932    0.8889   18.9515  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	| 2.9651
  Crash		| -1.6545
  Polar		| 1.7333
  FragIndex	| 1
  FragRMSD	| 1.008