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


@<TRIPOS>ATOM
1    C        -1.0088   10.1930   14.7463  C     
2    C         0.0696    9.6204   14.0374  C     
3    C        -0.0211    8.2645   13.6475  C     
4    C        -1.1588    7.4993   13.9676  C     
5    C        -2.2416    8.0706   14.6783  C     
6    C        -2.1452    9.4285   15.0648  C     
7    C         1.2542   10.4464   13.7253  C     
8    C        -3.4480    7.2655   14.9988  C     
9    N        -4.2276    7.0496   13.8229  N     
10   S        -4.3452    5.5701   13.0218  S     
11   O        -5.6898    5.6320   12.1701  O     
12   O        -3.1557    5.3299   11.9946  O     
13   C        -4.5681    4.2218   14.0831  C     
14   C        -5.3942    2.4879   15.7754  C     
15   C        -4.0747    2.3012   15.3573  C     
16   C        -3.6203    3.2577   14.4332  C     
17   S        -6.0027    3.8756   14.9633  S     
18   N        -7.6069    2.2694   17.5502  N     
19   S        -6.2269    1.5296   16.9516  S     
20   O        -6.6346    0.1408   16.2959  O     
21   O        -5.1970    1.2519   18.1275  O     
22   H        -0.9729   11.1723   15.0405  H     
23   H         0.7403    7.8223   13.1298  H     
24   H        -1.1882    6.5127   13.6884  H     
25   H        -2.9047    9.8697   15.5902  H     
26   H         0.9580   11.3059   13.1241  H     
27   H         2.0095    9.8895   13.1725  H     
28   H         1.7069   10.8065   14.6496  H     
29   H        -3.1388    6.3286   15.4622  H     
30   H        -4.0887    7.7845   15.7160  H     
31   H        -4.7058    7.8085   13.4502  H     
32   H        -3.4855    1.5435   15.7107  H     
33   H        -2.6658    3.2557   14.0687  H     
34   H        -8.2198    1.7443   18.0842  H     
35   H        -7.8742    3.1445   17.2305  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	| 5.8256
  Crash		| -1.3467
  Polar		| 4.2294
  FragIndex	| 1
  FragRMSD	| 1.117

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


@<TRIPOS>ATOM
1    C         0.0669    8.3259   13.6711  C     
2    C         0.1342    9.6971   13.9943  C     
3    C        -0.9549   10.3094   14.6346  C     
4    C        -2.0954    9.5624   14.9607  C     
5    C        -2.1798    8.1851   14.6417  C     
6    C        -1.0742    7.5746   14.0063  C     
7    C        -3.3925    7.3945   14.9754  C     
8    N        -4.1724    7.1304   13.8139  N     
9    S        -4.3135    5.6165   13.0804  S     
10   O        -5.6334    5.6472   12.1903  O     
11   O        -3.1022    5.3292   12.0906  O     
12   C        -4.5429    4.3127   14.1997  C     
13   C        -5.3833    2.5405   15.8530  C     
14   C        -4.0122    2.4861   15.5949  C     
15   C        -3.5468    3.4564   14.6896  C     
16   S        -6.0303    3.8360   14.9251  S     
17   N        -7.6622    2.2182   17.4968  N     
18   S        -6.2437    1.5181   16.9552  S     
19   O        -6.5949    0.1521   16.2298  O     
20   O        -5.2831    1.2062   18.1780  O     
21   O         1.2213   10.4549   13.6496  O     
22   C         2.3115   10.3641   14.5878  C     
23   H         0.8518    7.8706   13.1946  H     
24   H        -0.9168   11.3045   14.8682  H     
25   H        -2.8685   10.0304   15.4327  H     
26   H        -1.0952    6.5761   13.7802  H     
27   H        -3.0950    6.4759   15.4808  H     
28   H        -4.0316    7.9395   15.6689  H     
29   H        -4.6088    7.8825   13.3848  H     
30   H        -3.3981    1.8111   16.0482  H     
31   H        -2.5625    3.5321   14.4262  H     
32   H        -8.2757    1.6833   18.0196  H     
33   H        -7.9632    3.0590   17.1165  H     
34   H         1.9929   10.5857   15.6100  H     
35   H         3.0663   11.0993   14.3152  H     
36   H         2.7723    9.3709   14.5594  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	| 6.0777
  Crash		| -1.2791
  Polar		| 3.9464
  FragIndex	| 1
  FragRMSD	| 1.107

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


@<TRIPOS>ATOM
1    C        -3.3591    7.1660   15.0014  C     
2    N        -4.1866    7.0042   13.8593  N     
3    S        -4.3174    5.5493   13.0094  S     
4    O        -3.1214    5.3760   11.9728  O     
5    O        -5.6429    5.6476   12.1351  O     
6    C        -4.5748    4.1569   14.0109  C     
7    C        -5.4472    2.4194   15.6710  C     
8    C        -4.1988    2.1152   15.1263  C     
9    C        -3.7182    3.0684   14.2149  C     
10   S        -5.9589    3.9151   14.9955  S     
11   N        -7.6401    2.3295   17.4704  N     
12   S        -6.2379    1.5611   16.9530  S     
13   O        -6.6906    0.1379   16.4081  O     
14   O        -5.1913    1.3329   18.1292  O     
15   C        -2.3938    8.2736   14.8642  C     
16   C        -1.4461    8.6378   15.8272  C     
17   C        -0.6338    9.7305   15.4842  C     
18   C        -0.9026   10.2803   14.2289  C     
19   S        -2.1882    9.3647   13.5436  S     
20   H        -3.9988    7.3734   15.8629  H     
21   H        -2.8020    6.2519   15.2158  H     
22   H        -4.7307    7.7570   13.5702  H     
23   H        -3.6665    1.2879   15.3976  H     
24   H        -2.8066    2.9840   13.7594  H     
25   H        -8.3431    1.7970   17.8813  H     
26   H        -7.8436    3.2158   17.1428  H     
27   H        -1.3402    8.1391   16.7123  H     
28   H         0.1003   10.0880   16.0947  H     
29   H        -0.4120   11.0709   13.8040  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	| 6.4021
  Crash		| -1.0509
  Polar		| 4.3838
  FragIndex	| 1
  FragRMSD	| 1.342

@<TRIPOS>MOLECULE
BindingDB_11932
 34 36 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.0335    8.6522   13.3497  C     
2    C        -2.4527    9.9682   13.1091  C     
3    C        -1.9163   10.9413   13.9731  C     
4    C        -1.0326   10.4296   14.9274  C     
5    S        -0.9487    8.7203   14.6870  S     
6    C        -2.3536    7.4556   12.5418  C     
7    C        -2.2022    4.2409   14.5415  C     
8    C        -2.0206    5.7773   14.3617  C     
9    N        -2.8340    6.3300   13.3078  N     
10   S        -4.4728    5.8989   13.2415  S     
11   O        -5.3940    7.0753   13.7974  O     
12   O        -4.9504    5.4072   11.7961  O     
13   O        -1.8084    3.5667   13.3430  O     
14   C        -3.5980    3.8543   14.8413  C     
15   C        -4.6915    4.5430   14.2886  C     
16   C        -3.9794    2.7886   15.6847  C     
17   C        -5.3620    2.6015   15.8171  C     
18   S        -6.1355    3.7943   14.8487  S     
19   O        -6.2458    0.0192   15.9753  O     
20   O        -5.0933    1.0840   17.9903  O     
21   S        -6.1031    1.3821   16.7971  S     
22   N        -7.5777    1.7684   17.5107  N     
23   H        -3.0936   10.2119   12.3548  H     
24   H        -2.1433   11.9412   13.8988  H     
25   H        -0.5297   10.9759   15.6317  H     
26   H        -3.0949    7.7186   11.7782  H     
27   H        -1.4494    7.1724   11.9956  H     
28   H        -1.5447    3.9110   15.3482  H     
29   H        -2.2799    6.2841   15.2905  H     
30   H        -0.9578    5.9534   14.1730  H     
31   H        -1.7709    2.6151   13.5899  H     
32   H        -3.3040    2.1872   16.1630  H     
33   H        -7.8154    1.3253   18.3361  H     
34   H        -8.2739    2.1913   16.9837  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    5 1
     3    1    6 1
     4    2    3 1
     5    3    4 2
     6    4    5 1
     7    6    9 1
     8    7    8 1
     9    7   13 1
    10    7   14 1
    11    8    9 1
    12    9   10 1
    13   10   11 2
    14   10   12 2
    15   10   15 1
    16   14   15 2
    17   14   16 1
    18   15   18 1
    19   16   17 2
    20   17   18 1
    21   17   21 1
    22   19   21 2
    23   20   21 2
    24   21   22 am
    25    2   23 1
    26    3   24 1
    27    4   25 1
    28    6   26 1
    29    6   27 1
    30    7   28 1
    31    8   29 1
    32    8   30 1
    33   13   31 1
    34   16   32 1
    35   22   33 1
    36   22   34 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.5028
  Crash		| -1.9301
  Polar		| 3.8277
  FragIndex	| 1
  FragRMSD	| 1.473