@<TRIPOS>MOLECULE
BindingDB_11929
 35 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.6758    9.3708   15.5141  C     
2    C        -1.8175   10.2140   14.3912  C     
3    C        -1.8181    9.6272   13.1055  C     
4    C        -1.7365    8.2358   12.9498  C     
5    C        -1.6709    7.3853   14.0808  C     
6    C        -1.5951    7.9779   15.3592  C     
7    C        -1.9574   11.6799   14.5772  C     
8    C        -1.6195    5.9073   13.9115  C     
9    N        -2.7114    5.3991   13.1503  N     
10   S        -4.3260    5.6317   13.5734  S     
11   O        -4.5894    7.1575   13.9492  O     
12   O        -5.1798    5.4923   12.2328  O     
13   C        -5.0976    4.5572   14.6991  C     
14   C        -5.9783    2.6296   16.1545  C     
15   C        -6.7284    3.8099   16.2460  C     
16   C        -6.2453    4.8621   15.4416  C     
17   S        -4.6871    2.9201   15.0520  S     
18   N        -7.8405    1.0956   17.6840  N     
19   S        -6.3076    1.1488   16.9957  S     
20   O        -6.1699   -0.0915   16.0051  O     
21   O        -5.2300    1.0217   18.1610  O     
22   H        -1.6301    9.7779   16.4578  H     
23   H        -1.8903   10.2191   12.2739  H     
24   H        -1.7400    7.8434   12.0132  H     
25   H        -1.5143    7.3949   16.1952  H     
26   H        -2.8276   11.8978   15.2122  H     
27   H        -2.1042   12.2065   13.6227  H     
28   H        -1.0596   12.0852   15.0575  H     
29   H        -0.7024    5.6282   13.3951  H     
30   H        -1.6169    5.3876   14.8714  H     
31   H        -2.5296    4.8049   12.4000  H     
32   H        -7.5644    3.9024   16.8378  H     
33   H        -6.7141    5.7769   15.4009  H     
34   H        -8.0148    0.4684   18.4149  H     
35   H        -8.4871    1.8090   17.4895  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2    7 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    5    8 1
     9    8    9 1
    10    9   10 1
    11   10   11 2
    12   10   12 2
    13   10   13 1
    14   13   16 2
    15   13   17 1
    16   14   15 2
    17   14   17 1
    18   14   19 1
    19   15   16 1
    20   18   19 am
    21   19   20 2
    22   19   21 2
    23    1   22 1
    24    3   23 1
    25    4   24 1
    26    6   25 1
    27    7   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31    8   30 1
    32    9   31 1
    33   15   32 1
    34   16   33 1
    35   18   34 1
    36   18   35 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.0218
  Crash		| -1.3074
  Polar		| 3.0226
  FragIndex	| 1
  FragRMSD	| 1.360

@<TRIPOS>MOLECULE
BindingDB_11930
 36 37 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.5978    9.6474   13.1659  C     
2    C        -1.4207   10.1560   14.4745  C     
3    C        -1.2688    9.2429   15.5456  C     
4    C        -1.3476    7.8534   15.3283  C     
5    C        -1.5699    7.3528   14.0197  C     
6    C        -1.6772    8.2618   12.9361  C     
7    C        -1.6706    5.8859   13.7954  C     
8    N        -2.8429    5.5438   13.0510  N     
9    S        -4.3803    5.4354   13.7390  S     
10   O        -4.7732    6.8086   14.4413  O     
11   O        -5.4516    5.3281   12.5686  O     
12   C        -4.6761    4.0836   14.7854  C     
13   C        -5.7187    2.3284   16.3235  C     
14   C        -4.3310    2.2294   16.1969  C     
15   C        -3.7558    3.1771   15.3357  C     
16   S        -6.2329    3.6672   15.3790  S     
17   N        -6.1818    0.9596   18.8050  N     
18   S        -6.7578    1.3413   17.2896  S     
19   O        -8.2577    1.8617   17.3676  O     
20   O        -6.8743   -0.0725   16.5612  O     
21   O        -1.3463   11.5075   14.7091  O     
22   C        -2.6178   12.1734   14.5927  C     
23   H        -1.6691   10.2916   12.3794  H     
24   H        -1.1074    9.6016   16.4960  H     
25   H        -1.2304    7.1934   16.1187  H     
26   H        -1.8067    7.9157   11.9761  H     
27   H        -0.8230    5.4984   13.2257  H     
28   H        -1.6464    5.3815   14.7621  H     
29   H        -2.7573    5.4055   12.0933  H     
30   H        -3.7757    1.5257   16.6872  H     
31   H        -2.7590    3.2007   15.1245  H     
32   H        -5.8840    0.0548   18.9980  H     
33   H        -6.2502    1.6122   19.5245  H     
34   H        -3.0269   12.0743   13.5845  H     
35   H        -2.4576   13.2293   14.7937  H     
36   H        -3.3393   11.7887   15.3186  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    2   21 1
     5    3    4 1
     6    4    5 2
     7    5    6 1
     8    5    7 1
     9    7    8 1
    10    8    9 1
    11    9   10 2
    12    9   11 2
    13    9   12 1
    14   12   15 2
    15   12   16 1
    16   13   14 2
    17   13   16 1
    18   13   18 1
    19   14   15 1
    20   17   18 am
    21   18   19 2
    22   18   20 2
    23   21   22 1
    24    1   23 1
    25    3   24 1
    26    4   25 1
    27    6   26 1
    28    7   27 1
    29    7   28 1
    30    8   29 1
    31   14   30 1
    32   15   31 1
    33   17   32 1
    34   17   33 1
    35   22   34 1
    36   22   35 1
    37   22   36 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.4735
  Crash		| -1.6192
  Polar		| 3.1819
  FragIndex	| 1
  FragRMSD	| 0.863

@<TRIPOS>MOLECULE
BindingDB_11931
 29 30 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -1.7163    5.8426   13.8704  C     
2    N        -2.8267    5.3202   13.1501  N     
3    S        -4.4301    5.6124   13.5847  S     
4    O        -5.2932    5.4603   12.2588  O     
5    O        -4.6475    7.1387   13.9725  O     
6    C        -5.1717    4.5399   14.7257  C     
7    C        -6.0154    2.6108   16.1811  C     
8    C        -6.7150    3.8042   16.3503  C     
9    C        -6.2482    4.8597   15.5503  C     
10   S        -4.8000    2.8843   14.9949  S     
11   N        -7.8571    1.0723   17.6663  N     
12   S        -6.3103    1.1173   17.0113  S     
13   O        -6.1432   -0.1012   16.0125  O     
14   O        -5.2501    0.9930   18.1892  O     
15   C        -1.7660    7.3072   14.0362  C     
16   C        -1.9025    8.2620   13.0196  C     
17   C        -1.9406    9.5925   13.4621  C     
18   C        -1.8276    9.7448   14.8470  C     
19   S        -1.6965    8.1686   15.5286  S     
20   H        -1.6548    5.3543   14.8433  H     
21   H        -0.8118    5.5955   13.3159  H     
22   H        -2.6612    4.8488   12.3173  H     
23   H        -7.4982    3.9060   16.9968  H     
24   H        -6.6760    5.7848   15.5657  H     
25   H        -8.0911    0.3595   18.2881  H     
26   H        -8.4796    1.8085   17.5071  H     
27   H        -1.9687    8.0108   12.0301  H     
28   H        -2.0380   10.3888   12.8290  H     
29   H        -1.8339   10.6250   15.3689  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1   15 1
     3    2    3 1
     4    3    4 2
     5    3    5 2
     6    3    6 1
     7    6    9 2
     8    6   10 1
     9    7    8 2
    10    7   10 1
    11    7   12 1
    12    8    9 1
    13   11   12 am
    14   12   13 2
    15   12   14 2
    16   15   16 2
    17   15   19 1
    18   16   17 1
    19   17   18 2
    20   18   19 1
    21    1   20 1
    22    1   21 1
    23    2   22 1
    24    8   23 1
    25    9   24 1
    26   11   25 1
    27   11   26 1
    28   16   27 1
    29   17   28 1
    30   18   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5129
  Crash		| -1.4013
  Polar		| 3.0792
  FragIndex	| 1
  FragRMSD	| 1.466