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


@<TRIPOS>ATOM
1    C        -0.0649    8.7028   13.8643  C     
2    C         0.2421    9.8030   14.6856  C     
3    C        -0.4549    9.9940   15.8895  C     
4    C        -1.4750    9.0973   16.2583  C     
5    C        -1.7740    7.9916   15.4384  C     
6    C        -1.0625    7.7680   14.2328  C     
7    C        -1.3551    6.6333   13.3132  C     
8    N        -2.1104    5.5798   13.9197  N     
9    C        -3.4221    5.3700   13.8347  C     
10   O        -4.0894    6.1042   13.1125  O     
11   C        -4.0576    4.3683   14.5871  C     
12   C        -5.4739    4.2666   14.6108  C     
13   C        -3.3286    3.4233   15.3571  C     
14   C        -3.9789    2.4077   16.0813  C     
15   C        -5.3837    2.3244   16.0808  C     
16   C        -6.1282    3.2622   15.3438  C     
17   S        -6.1763    1.0621   16.9746  S     
18   O        -6.0631   -0.2518   16.0892  O     
19   O        -5.4138    0.8216   18.3481  O     
20   N        -7.8126    1.3418   17.2262  N     
21   H         0.4539    8.5861   12.9892  H     
22   H         0.9728   10.4621   14.4083  H     
23   H        -0.2272   10.7879   16.4929  H     
24   H        -2.0023    9.2548   17.1215  H     
25   H        -2.5227    7.3620   15.7248  H     
26   H        -1.8478    7.0305   12.4243  H     
27   H        -0.4208    6.1846   12.9824  H     
28   H        -1.6158    5.0133   14.5283  H     
29   H        -6.0564    4.9304   14.0944  H     
30   H        -2.3075    3.4483   15.4026  H     
31   H        -3.4169    1.7266   16.5989  H     
32   H        -7.1477    3.2141   15.3201  H     
33   H        -8.3797    0.6147   17.5333  H     
34   H        -8.1724    2.2371   17.1442  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	| 5.8904
  Crash		| -1.1160
  Polar		| 2.6764
  FragIndex	| 1
  FragRMSD	| 0.891

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


@<TRIPOS>ATOM
1    C        -1.7435    7.8573   15.3318  C     
2    C        -1.4255    8.9500   16.1616  C     
3    C        -0.4385    9.8742   15.7727  C     
4    C         0.2123    9.7155   14.5336  C     
5    C        -0.1175    8.6326   13.7007  C     
6    F        -0.1236   10.8612   16.5626  F     
7    C        -1.0893    7.6791   14.0919  C     
8    C        -1.3882    6.5354   13.1786  C     
9    N        -2.1618    5.4871   13.7548  N     
10   C        -3.4883    5.3927   13.8231  C     
11   O        -4.1623    6.2619   13.2774  O     
12   C        -4.1256    4.3687   14.5426  C     
13   C        -5.5384    4.2484   14.5652  C     
14   C        -3.3818    3.4322   15.3092  C     
15   C        -4.0135    2.4236   16.0536  C     
16   C        -5.4174    2.3287   16.0729  C     
17   C        -6.1783    3.2496   15.3262  C     
18   S        -6.1889    1.0801   17.0069  S     
19   O        -5.9464   -0.2407   16.1569  O     
20   O        -5.4557    0.7960   18.3889  O     
21   N        -7.8612    1.1592   17.1628  N     
22   H        -2.4666    7.2083   15.6327  H     
23   H        -1.9092    9.0638   17.0542  H     
24   H         0.9391   10.3775   14.2473  H     
25   H         0.3644    8.5391   12.8014  H     
26   H        -1.8681    6.9270   12.2749  H     
27   H        -0.4406    6.0895   12.8742  H     
28   H        -1.6490    4.7556   14.1360  H     
29   H        -6.1341    4.8804   14.0267  H     
30   H        -2.3637    3.4708   15.3453  H     
31   H        -3.4387    1.7699   16.5906  H     
32   H        -7.2005    3.2012   15.3390  H     
33   H        -8.4016    0.3976   16.9009  H     
34   H        -8.2937    2.0097   17.3610  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	| 5.9829
  Crash		| -0.9779
  Polar		| 2.5644
  FragIndex	| 1
  FragRMSD	| 0.884

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


@<TRIPOS>ATOM
1    C        -1.8347    7.8878   15.4219  C     
2    C        -1.5607    8.9695   16.2777  C     
3    C        -0.5303    9.8757   15.9650  C     
4    C         0.2043    9.7157   14.7724  C     
5    C        -0.0824    8.6408   13.9053  C     
6    C        -1.0977    7.6955   14.2284  C     
7    C        -1.3833    6.5562   13.3037  C     
8    N        -2.1545    5.4996   13.8713  N     
9    C        -3.4758    5.3619   13.8601  C     
10   O        -4.1511    6.1898   13.2598  O     
11   C        -4.1275    4.3382   14.5782  C     
12   C        -5.5430    4.2157   14.5943  C     
13   C        -3.3861    3.3993   15.3496  C     
14   C        -4.0242    2.3974   16.0983  C     
15   C        -5.4252    2.3132   16.1185  C     
16   C        -6.1828    3.2211   15.3624  C     
17   S        -6.1930    1.0672   17.0588  S     
18   O        -6.0886   -0.2399   16.1556  O     
19   O        -5.4017    0.7425   18.4029  O     
20   N        -7.8444    1.2427   17.3276  N     
21   F         0.6048    8.5291   12.7993  F     
22   F         1.1630   10.5619   14.5069  F     
23   H        -2.5964    7.2524   15.6736  H     
24   H        -2.1066    9.0919   17.1407  H     
25   H        -0.3229   10.6481   16.6092  H     
26   H        -1.8605    6.9463   12.4022  H     
27   H        -0.4345    6.1048   13.0083  H     
28   H        -1.6465    4.7991   14.3100  H     
29   H        -6.1281    4.8475   14.0483  H     
30   H        -2.3644    3.4325   15.3844  H     
31   H        -3.4452    1.7444   16.6335  H     
32   H        -7.2019    3.1771   15.3651  H     
33   H        -8.4198    0.4602   17.2188  H     
34   H        -8.2372    2.1215   17.3373  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	| 6.1941
  Crash		| -1.0806
  Polar		| 2.7145
  FragIndex	| 1
  FragRMSD	| 0.858

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


@<TRIPOS>ATOM
1    C        -1.7870    8.0978   15.4182  C     
2    C        -1.4608    9.1894   16.2387  C     
3    C        -0.3717   10.0136   15.9253  C     
4    C         0.3754    9.7621   14.7614  C     
5    C         0.0481    8.6722   13.9314  C     
6    C        -1.0219    7.7884   14.2537  C     
7    C        -1.3637    6.6648   13.3239  C     
8    N        -2.1048    5.5701   13.8864  N     
9    C        -3.4025    5.2909   13.7132  C     
10   O        -4.0508    5.9952   12.9502  O     
11   C        -4.0585    4.2965   14.4499  C     
12   C        -5.4802    4.2171   14.4852  C     
13   C        -3.3461    3.3437   15.2242  C     
14   C        -4.0073    2.3755   15.9988  C     
15   C        -5.4124    2.3422   16.0438  C     
16   C        -6.1488    3.2692   15.2828  C     
17   S        -6.2034    1.1329   17.0148  S     
18   O        -6.0311   -0.2064   16.1846  O     
19   O        -5.4572    0.8753   18.3904  O     
20   N        -7.8602    1.2855   17.2084  N     
21   F         0.7644    8.5052   12.8477  F     
22   F        -2.8362    7.4176   15.7678  F     
23   H        -2.0200    9.3917   17.0685  H     
24   H        -0.1292   10.7951   16.5379  H     
25   H         1.1614   10.3766   14.5315  H     
26   H        -1.8712    7.0976   12.4692  H     
27   H        -0.4387    6.2094   12.9659  H     
28   H        -1.6124    5.0107   14.5054  H     
29   H        -6.0542    4.8694   13.9421  H     
30   H        -2.3245    3.3336   15.2386  H     
31   H        -3.4531    1.7043   16.5356  H     
32   H        -7.1696    3.2692   15.3063  H     
33   H        -8.4200    0.5097   17.0192  H     
34   H        -8.2585    2.1578   17.2505  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	| 5.9787
  Crash		| -1.3337
  Polar		| 2.7052
  FragIndex	| 1
  FragRMSD	| 0.874

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


@<TRIPOS>ATOM
1    C        -1.7990    7.9413   15.3558  C     
2    C        -1.4635    9.0311   16.1822  C     
3    C        -0.4090    9.8906   15.8237  C     
4    C         0.2913    9.6688   14.6216  C     
5    C        -0.0542    8.5882   13.7844  C     
6    C        -1.1013    7.6970   14.1429  C     
7    C        -1.4307    6.5397   13.2503  C     
8    N        -2.2201    5.5189   13.8626  N     
9    C        -3.5466    5.4075   13.9077  C     
10   O        -4.2183    6.2794   13.3694  O     
11   C        -4.1863    4.3650   14.6030  C     
12   C        -5.6029    4.2281   14.6156  C     
13   C        -3.4443    3.4134   15.3541  C     
14   C        -4.0750    2.3931   16.0861  C     
15   C        -5.4783    2.2954   16.1037  C     
16   C        -6.2403    3.2167   15.3620  C     
17   S        -6.2232    1.0321   17.0351  S     
18   O        -5.9405   -0.2893   16.2036  O     
19   O        -5.5276    0.7982   18.4447  O     
20   N        -7.8975    1.0527   17.1318  N     
21   F         0.6241    8.4157   12.6760  F     
22   F        -0.0781   10.8870   16.6066  F     
23   F         1.2697   10.4716   14.2908  F     
24   H        -2.5653    7.3345   15.6543  H     
25   H        -1.9917    9.1899   17.0460  H     
26   H        -1.8981    6.9072   12.3362  H     
27   H        -0.5000    6.0520   12.9626  H     
28   H        -1.7144    4.8085   14.2858  H     
29   H        -6.1952    4.8673   14.0766  H     
30   H        -2.4245    3.4464   15.3904  H     
31   H        -3.4991    1.7262   16.6063  H     
32   H        -7.2613    3.1582   15.3576  H     
33   H        -8.4009    0.2666   16.8607  H     
34   H        -8.3622    1.8820   17.3201  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	| 6.0130
  Crash		| -1.0162
  Polar		| 2.3365
  FragIndex	| 1
  FragRMSD	| 0.844

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


@<TRIPOS>ATOM
1    C        -1.7441    8.2550   15.3585  C     
2    C        -1.2830    9.3302   16.1518  C     
3    C        -0.1879   10.1060   15.7296  C     
4    C         0.4817    9.7891   14.5322  C     
5    C         0.0900    8.6508   13.7893  C     
6    C        -1.0181    7.8440   14.2082  C     
7    C        -1.4805    6.6583   13.4133  C     
8    N        -2.1908    5.6676   14.1775  N     
9    C        -3.5061    5.4416   14.1571  C     
10   O        -4.2015    6.1638   13.4546  O     
11   C        -4.1401    4.4134   14.8904  C     
12   C        -3.4048    3.3922   15.5374  C     
13   C        -5.5616    4.3136   14.9728  C     
14   C        -6.1989    3.2673   15.6460  C     
15   C        -5.4396    2.2598   16.2793  C     
16   C        -4.0342    2.3346   16.2134  C     
17   S        -6.2349    0.9465   17.0866  S     
18   O        -6.2521   -0.3923   16.2358  O     
19   O        -5.3711    0.5932   18.3671  O     
20   N        -7.7781    1.2222   17.6666  N     
21   F         0.7393    8.4085   12.6779  F     
22   F         0.2147   11.1241   16.4425  F     
23   F        -2.8868    7.6963   15.6905  F     
24   H        -1.7783    9.5769   17.0154  H     
25   H         1.2579   10.3741   14.1976  H     
26   H        -2.0751    7.0317   12.5682  H     
27   H        -0.6161    6.1215   12.9805  H     
28   H        -1.6416    5.0741   14.7156  H     
29   H        -2.3866    3.4003   15.5230  H     
30   H        -6.1544    5.0252   14.5409  H     
31   H        -7.2244    3.2456   15.6809  H     
32   H        -3.4564    1.6266   16.6689  H     
33   H        -7.9436    1.1320   18.6073  H     
34   H        -8.5148    1.3118   17.0516  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	| 5.7847
  Crash		| -1.5225
  Polar		| 2.5296
  FragIndex	| 1
  FragRMSD	| 0.861

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


@<TRIPOS>ATOM
1    C        -0.0851    8.5620   13.6953  C     
2    C         0.2364    9.6705   14.5060  C     
3    C        -0.4347    9.8620   15.7320  C     
4    C        -1.4236    8.9434   16.1357  C     
5    C        -1.7300    7.8291   15.3313  C     
6    C        -1.0589    7.6161   14.1004  C     
7    C        -1.3383    6.4508   13.2124  C     
8    N        -2.1250    5.4161   13.8015  N     
9    C        -3.4485    5.3118   13.8302  C     
10   O        -4.1120    6.1641   13.2536  O     
11   C        -4.1092    4.3025   14.5537  C     
12   C        -3.3853    3.3865   15.3645  C     
13   C        -5.5258    4.1701   14.5470  C     
14   C        -6.1776    3.1860   15.3181  C     
15   C        -5.4340    2.2837   16.1024  C     
16   C        -4.0325    2.3916   16.1170  C     
17   S        -6.2119    1.0600   17.0643  S     
18   O        -6.0797   -0.2529   16.1809  O     
19   O        -5.4341    0.7343   18.4121  O     
20   N        -7.8692    1.2082   17.2957  N     
21   F        -0.1256   10.8740   16.5019  F     
22   F        -2.0750    9.1069   17.2581  F     
23   F         1.1609   10.5057   14.1174  F     
24   H         0.4005    8.4431   12.8014  H     
25   H        -2.4546    7.1869   15.6443  H     
26   H        -1.7986    6.8109   12.2926  H     
27   H        -0.3867    6.0027   12.9432  H     
28   H        -1.6172    4.6963   14.2114  H     
29   H        -2.3679    3.4266   15.4217  H     
30   H        -6.1048    4.7850   13.9729  H     
31   H        -7.1990    3.1320   15.3034  H     
32   H        -3.4649    1.7529   16.6797  H     
33   H        -8.4409    0.4638   17.0459  H     
34   H        -8.2593    2.0931   17.3767  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	| 5.5892
  Crash		| -1.3583
  Polar		| 2.6873
  FragIndex	| 1
  FragRMSD	| 0.870

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


@<TRIPOS>ATOM
1    C        -0.0371    8.5372   13.7280  C     
2    C         0.3222    9.6425   14.5295  C     
3    C        -0.3548    9.8894   15.7416  C     
4    C        -1.4153    9.0448   16.1277  C     
5    C        -1.7886    7.9542   15.3252  C     
6    C        -1.0773    7.6512   14.1214  C     
7    C        -1.4154    6.4911   13.2284  C     
8    N        -2.1685    5.4198   13.8078  N     
9    C        -3.4820    5.1678   13.6711  C     
10   O        -4.1347    5.8875   12.9250  O     
11   C        -4.1247    4.1997   14.4425  C     
12   C        -3.4069    3.2769   15.2399  C     
13   C        -5.5481    4.1039   14.4914  C     
14   C        -6.2024    3.1701   15.3170  C     
15   C        -5.4532    2.2725   16.0983  C     
16   C        -4.0518    2.3211   16.0454  C     
17   S        -6.2179    1.0609   17.0852  S     
18   O        -6.0796   -0.2542   16.2062  O     
19   O        -5.4068    0.7866   18.4253  O     
20   N        -7.8743    1.2064   17.3044  N     
21   F        -2.8245    7.2793   15.7292  F     
22   F         0.6200    8.3491   12.6137  F     
23   F        -2.0570    9.2795   17.2356  F     
24   F         0.0015   10.8897   16.4982  F     
25   F         1.2928   10.4378   14.1621  F     
26   H        -1.9105    6.8924   12.3395  H     
27   H        -0.4900    6.0287   12.8957  H     
28   H        -1.6882    4.8819   14.4493  H     
29   H        -2.3851    3.2708   15.2430  H     
30   H        -6.1355    4.7312   13.9264  H     
31   H        -7.2229    3.1473   15.3405  H     
32   H        -3.4846    1.6681   16.5871  H     
33   H        -8.4262    0.3954   17.2803  H     
34   H        -8.2974    2.0694   17.3035  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	| 5.3365
  Crash		| -1.5152
  Polar		| 2.7132
  FragIndex	| 1
  FragRMSD	| 0.849