@<TRIPOS>MOLECULE
BindingDB_5655
 49 52 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C         0.1531   36.6036  141.5935  C     
2    C         1.4598   36.4029  141.2542  C     
3    C         1.9099   36.6424  140.0006  C     
4    C        -0.8081   36.9450  140.6367  C     
5    C        -0.3751   36.9868  139.2823  C     
6    C        -1.2664   37.2714  138.2093  C     
7    C        -3.0403   37.6157  139.8971  C     
8    C        -2.1658   37.2527  140.9346  C     
9    C        -2.6042   37.6340  138.5632  C     
10   O        -3.5247   38.0882  137.6801  O     
11   O        -2.6743   37.2269  142.2001  O     
12   O        -0.1219   36.6048  142.7894  O     
13   O         0.9784   36.7864  139.0189  O     
14   C         3.2783   36.8801  139.6530  C     
15   C         5.6135   37.3723  140.3849  C     
16   C         4.2949   36.9502  140.6596  C     
17   C         3.7284   37.1750  138.3259  C     
18   C         5.0329   37.6550  138.0583  C     
19   C         5.9763   37.7671  139.0979  C     
20   Cl        2.8171   36.9201  136.9154  Cl    
21   C        -0.7340   37.3065  136.7953  C     
22   C         0.5505   38.7628  135.0825  C     
23   C        -0.0513   38.6808  136.5103  C     
24   C        -1.6776   36.8993  135.6208  C     
25   C        -0.9719   37.0067  134.2425  C     
26   N        -0.4524   38.3908  134.0399  N     
27   C         0.0426   38.6358  132.6570  C     
28   O        -0.9868   39.7435  136.6579  O     
29   H         2.1023   36.1442  141.9644  H     
30   H        -4.0024   37.8825  140.1246  H     
31   H        -3.8065   37.2782  137.2075  H     
32   H        -2.5049   38.1230  142.5581  H     
33   H         6.3106   37.4136  141.1331  H     
34   H         4.0929   36.7415  141.6323  H     
35   H         5.3251   37.8971  137.1070  H     
36   H         6.9293   38.1099  138.9110  H     
37   H         0.0507   36.5492  136.7359  H     
38   H         0.8922   39.7877  134.9220  H     
39   H         1.4254   38.1088  135.0188  H     
40   H         0.7558   38.8500  137.2279  H     
41   H        -2.0355   35.8794  135.7697  H     
42   H        -2.5379   37.5603  135.5733  H     
43   H        -0.1593   36.2770  134.1739  H     
44   H        -1.7023   36.7662  133.4673  H     
45   H        -1.2510   39.0170  134.1652  H     
46   H         0.3454   39.6792  132.5399  H     
47   H        -0.7569   38.4502  131.9356  H     
48   H         0.8926   37.9963  132.4162  H     
49   H        -0.9296   40.0106  137.6015  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    4 1
     3    1   12 2
     4    2    3 2
     5    3   13 1
     6    3   14 1
     7    4    5 1
     8    4    8 2
     9    5    6 2
    10    5   13 1
    11    6    9 1
    12   21    6 1
    13    7    8 1
    14    7    9 2
    15    8   11 1
    16    9   10 1
    17   14   16 1
    18   14   17 2
    19   15   16 2
    20   15   19 1
    21   17   18 1
    22   17   20 1
    23   18   19 2
    24   21   23 1
    25   21   24 1
    26   22   23 1
    27   22   26 1
    28   23   28 1
    29   24   25 1
    30   25   26 1
    31   26   27 1
    32    2   29 1
    33    7   30 1
    34   10   31 1
    35   11   32 1
    36   15   33 1
    37   16   34 1
    38   18   35 1
    39   19   36 1
    40   21   37 1
    41   22   38 1
    42   22   39 1
    43   23   40 1
    44   24   41 1
    45   24   42 1
    46   25   43 1
    47   25   44 1
    48   26   45 1
    49   27   46 1
    50   27   47 1
    51   27   48 1
    52   28   49 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.9529
  Crash		| -2.9467
  Polar		| 1.4507
  FragIndex	| 1
  FragRMSD	| 1.167

@<TRIPOS>MOLECULE
BindingDB_7457
 31 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.0598   37.6171  140.2025  C     
2    C        -2.5943   37.8860  138.9285  C     
3    C        -1.9605   37.3964  137.7707  C     
4    C        -0.7988   36.6109  137.8892  C     
5    O        -2.4680   37.6938  136.5489  O     
6    C        -0.8741   36.8560  140.3296  C     
7    C        -0.2577   36.3527  139.1589  C     
8    C        -0.1878   36.6157  141.5271  C     
9    C         1.7272   36.0246  140.2929  C     
10   C         1.1466   36.2643  141.4975  C     
11   O        -0.7061   36.9398  142.5891  O     
12   O         1.8418   36.4021  142.6283  O     
13   O         0.9080   35.6324  139.2791  O     
14   C         3.0033   36.4896  139.9169  C     
15   C         4.1397   36.4867  140.7691  C     
16   C         3.1583   37.0971  138.6348  C     
17   C         4.3494   37.7443  138.2539  C     
18   C         5.4297   37.7945  139.1540  C     
19   C         5.3297   37.1428  140.3999  C     
20   O         6.5276   38.5164  138.8190  O     
21   O         4.4482   38.3661  137.0424  O     
22   H        -2.5197   38.0101  141.0276  H     
23   H        -3.4394   38.4543  138.8458  H     
24   H        -0.3316   36.2501  137.0543  H     
25   H        -1.6995   37.7268  135.9412  H     
26   H         2.3717   35.5805  142.7320  H     
27   H         4.1189   36.0213  141.6782  H     
28   H         2.3784   37.1340  137.9714  H     
29   H         6.1142   37.1696  141.0542  H     
30   H         7.1477   38.4611  139.5812  H     
31   H         3.7409   37.9936  136.4744  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    2    3 2
     4    3    4 1
     5    3    5 1
     6    4    7 2
     7    6    7 1
     8    6    8 1
     9    7   13 1
    10    8   10 1
    11    8   11 2
    12    9   10 2
    13    9   13 1
    14    9   14 1
    15   10   12 1
    16   14   15 1
    17   14   16 2
    18   15   19 2
    19   16   17 1
    20   17   18 2
    21   17   21 1
    22   18   19 1
    23   18   20 1
    24    1   22 1
    25    2   23 1
    26    4   24 1
    27    5   25 1
    28   12   26 1
    29   15   27 1
    30   16   28 1
    31   19   29 1
    32   20   30 1
    33   21   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.1240
  Crash		| -1.5561
  Polar		| 1.7934
  FragIndex	| 1
  FragRMSD	| 0.493

@<TRIPOS>MOLECULE
BindingDB_7458
 30 32 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.1905   37.6045  140.0900  C     
2    C        -2.7697   37.8210  138.8192  C     
3    C        -2.1372   37.3533  137.6494  C     
4    C        -0.9273   36.6455  137.7466  C     
5    O        -2.6758   37.5618  136.4203  O     
6    C        -0.9523   36.9194  140.1931  C     
7    C        -0.3374   36.4400  139.0051  C     
8    C        -0.2149   36.7165  141.3722  C     
9    C         1.6863   36.1627  140.0976  C     
10   C         1.1266   36.4429  141.3018  C     
11   O        -0.6968   36.9606  142.4704  O     
12   O         0.8687   35.7762  139.0802  O     
13   C         3.0010   36.5296  139.7658  C     
14   C         4.0631   36.5531  140.7047  C     
15   C         3.2699   37.0404  138.4683  C     
16   C         4.4984   37.6495  138.1591  C     
17   C         5.5036   37.7459  139.1320  C     
18   C         5.2955   37.1600  140.3937  C     
19   O         6.6177   38.4642  138.8453  O     
20   O        -2.8198   38.0977  141.1890  O     
21   H        -3.6518   38.3336  138.7445  H     
22   H        -0.4643   36.2969  136.9012  H     
23   H        -3.6155   37.8007  136.5697  H     
24   H         1.6966   36.6953  142.0779  H     
25   H         3.9415   36.1581  141.6402  H     
26   H         2.5457   37.0508  137.7446  H     
27   H         4.6390   38.0686  137.2360  H     
28   H         6.0264   37.2103  141.1044  H     
29   H         7.2041   38.3938  139.6311  H     
30   H        -3.7521   38.2684  140.9169  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   20 1
     4    2    3 2
     5    3    4 1
     6    3    5 1
     7    4    7 2
     8    6    7 1
     9    6    8 1
    10    7   12 1
    11    8   10 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15    9   13 1
    16   13   14 1
    17   13   15 2
    18   14   18 2
    19   15   16 1
    20   16   17 2
    21   17   18 1
    22   17   19 1
    23    2   21 1
    24    4   22 1
    25    5   23 1
    26   10   24 1
    27   14   25 1
    28   15   26 1
    29   16   27 1
    30   18   28 1
    31   19   29 1
    32   20   30 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 5.3740
  Crash		| -1.7355
  Polar		| 1.0524
  FragIndex	| 1
  FragRMSD	| 0.563

@<TRIPOS>MOLECULE
BindingDB_7459
 31 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.2347   37.5280  140.4483  C     
2    C        -2.8959   37.7854  139.2297  C     
3    C        -2.3106   37.4235  138.0018  C     
4    C        -1.0642   36.7711  137.9882  C     
5    O        -2.9704   37.6839  136.8472  O     
6    C        -0.9537   36.9113  140.4434  C     
7    C        -0.3924   36.5237  139.1970  C     
8    C        -0.1360   36.6933  141.5649  C     
9    C         1.7006   36.2276  140.1631  C     
10   C         1.2004   36.4444  141.4029  C     
11   O        -0.5295   36.9520  142.6942  O     
12   O         0.8383   35.9032  139.1617  O     
13   C         3.0080   36.5851  139.7952  C     
14   C         4.1037   36.5649  140.6970  C     
15   C         3.2370   37.1276  138.5017  C     
16   C         4.4658   37.7173  138.1563  C     
17   C         5.5027   37.7768  139.1062  C     
18   C         5.3316   37.1640  140.3601  C     
19   O         6.6222   38.4825  138.8118  O     
20   O        -2.8619   37.9291  141.5858  O     
21   O         4.6016   38.2791  136.9263  O     
22   H        -3.8114   38.2441  139.2359  H     
23   H        -0.6391   36.4863  137.1018  H     
24   H        -2.2994   37.6503  136.1329  H     
25   H         1.8077   36.6463  142.1617  H     
26   H         4.0090   36.1525  141.6287  H     
27   H         2.4868   37.1634  137.8061  H     
28   H         6.0819   37.1972  141.0521  H     
29   H         7.2097   38.4207  139.5990  H     
30   H        -2.6445   37.2555  142.2640  H     
31   H         5.5592   38.2519  136.7248  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   20 1
     4    2    3 2
     5    3    4 1
     6    3    5 1
     7    4    7 2
     8    6    7 1
     9    6    8 1
    10    7   12 1
    11    8   10 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15    9   13 1
    16   13   14 1
    17   13   15 2
    18   14   18 2
    19   15   16 1
    20   16   17 2
    21   16   21 1
    22   17   18 1
    23   17   19 1
    24    2   22 1
    25    4   23 1
    26    5   24 1
    27   10   25 1
    28   14   26 1
    29   15   27 1
    30   18   28 1
    31   19   29 1
    32   20   30 1
    33   21   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.7148
  Crash		| -1.5863
  Polar		| 0.8567
  FragIndex	| 1
  FragRMSD	| 0.678

@<TRIPOS>MOLECULE
BindingDB_7460
 32 34 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.1838   37.6791  140.1499  C     
2    C        -2.6867   37.9333  138.8537  C     
3    C        -1.9985   37.4766  137.7142  C     
4    C        -0.8185   36.7312  137.8618  C     
5    O        -2.4687   37.7463  136.4750  O     
6    C        -0.9646   36.9681  140.3096  C     
7    C        -0.3068   36.4909  139.1475  C     
8    C        -0.2882   36.7172  141.5192  C     
9    C         1.6607   36.1710  140.3160  C     
10   C         1.0426   36.3400  141.5169  C     
11   O        -0.8098   37.0303  142.5815  O     
12   O         1.6696   36.2788  142.6946  O     
13   O         0.8581   35.7762  139.2893  O     
14   C         2.9740   36.5712  139.9649  C     
15   C         4.0727   36.6064  140.8669  C     
16   C         3.2089   37.1255  138.6723  C     
17   C         4.4210   37.7511  138.3276  C     
18   C         5.4740   37.7901  139.2587  C     
19   C         5.3093   37.1756  140.5098  C     
20   O         6.5985   38.4948  138.9799  O     
21   O         4.5289   38.3378  137.1057  O     
22   O        -2.8717   38.1517  141.2236  O     
23   H        -3.5556   38.4602  138.7356  H     
24   H        -0.3221   36.3822  137.0376  H     
25   H        -3.1237   37.0365  136.3084  H     
26   H         2.3119   35.5331  142.6567  H     
27   H         3.9887   36.2717  141.8235  H     
28   H         2.4696   37.1480  137.9672  H     
29   H         6.0759   37.1966  141.1846  H     
30   H         7.2208   38.3338  139.7219  H     
31   H         5.4368   38.1583  136.7881  H     
32   H        -3.7812   38.3363  140.9068  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   22 1
     4    2    3 2
     5    3    4 1
     6    3    5 1
     7    4    7 2
     8    6    7 1
     9    6    8 1
    10    7   13 1
    11    8   10 1
    12    8   11 2
    13    9   10 2
    14    9   13 1
    15    9   14 1
    16   10   12 1
    17   14   15 1
    18   14   16 2
    19   15   19 2
    20   16   17 1
    21   17   18 2
    22   17   21 1
    23   18   19 1
    24   18   20 1
    25    2   23 1
    26    4   24 1
    27    5   25 1
    28   12   26 1
    29   15   27 1
    30   16   28 1
    31   19   29 1
    32   20   30 1
    33   21   31 1
    34   22   32 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.8126
  Crash		| -1.9867
  Polar		| 3.0994
  FragIndex	| 1
  FragRMSD	| 0.515

@<TRIPOS>MOLECULE
BindingDB_7461
 29 31 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.2133   37.5846  140.1846  C     
2    C        -2.8169   37.8369  138.9347  C     
3    C        -2.1743   37.4691  137.7376  C     
4    C        -0.9234   36.8345  137.7881  C     
5    O        -2.7392   37.6972  136.5260  O     
6    C        -0.9350   36.9732  140.2450  C     
7    C        -0.3084   36.5991  139.0280  C     
8    C        -0.1754   36.7510  141.4047  C     
9    C         1.7374   36.3217  140.0964  C     
10   C         1.1706   36.5172  141.3123  C     
11   O        -0.6408   36.9665  142.5178  O     
12   O         0.9309   36.0005  139.0509  O     
13   C         3.0727   36.6373  139.7991  C     
14   C         3.4006   37.1304  138.5075  C     
15   C         4.1149   36.5869  140.7619  C     
16   C         5.3986   37.0815  140.4673  C     
17   C         5.6846   37.6012  139.1966  C     
18   C         4.6885   37.6087  138.2086  C     
19   O        -2.8906   37.9766  141.2925  O     
20   H        -3.7311   38.2907  138.8955  H     
21   H        -0.4540   36.5528  136.9237  H     
22   H        -3.7091   37.6816  136.6691  H     
23   H         1.7349   36.7131  142.1061  H     
24   H         2.6929   37.1957  137.7719  H     
25   H         3.9531   36.2068  141.6961  H     
26   H         6.1235   37.0775  141.1862  H     
27   H         6.6136   37.9754  138.9909  H     
28   H         4.8946   37.9869  137.2812  H     
29   H        -3.1257   37.1523  141.7648  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   19 1
     4    2    3 2
     5    3    4 1
     6    3    5 1
     7    4    7 2
     8    6    7 1
     9    6    8 1
    10    7   12 1
    11    8   10 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15    9   13 1
    16   13   14 1
    17   13   15 2
    18   14   18 2
    19   15   16 1
    20   16   17 2
    21   17   18 1
    22    2   20 1
    23    4   21 1
    24    5   22 1
    25   10   23 1
    26   14   24 1
    27   15   25 1
    28   16   26 1
    29   17   27 1
    30   18   28 1
    31   19   29 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 4.2509
  Crash		| -1.2420
  Polar		| 0.0630
  FragIndex	| 1
  FragRMSD	| 0.651

@<TRIPOS>MOLECULE
BindingDB_7462
 31 33 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        -2.1049   37.5358  140.2087  C     
2    C        -2.6719   37.8239  138.9502  C     
3    C        -2.0332   37.4175  137.7617  C     
4    C        -0.8289   36.6994  137.8295  C     
5    O        -2.5606   37.6978  136.5445  O     
6    C        -0.8786   36.8271  140.2853  C     
7    C        -0.2541   36.4173  139.0788  C     
8    C        -0.1659   36.5172  141.4550  C     
9    C         1.7532   36.0652  140.1716  C     
10   C         1.1806   36.2310  141.3955  C     
11   O        -0.7021   36.6318  142.5504  O     
12   O         0.9359   35.7271  139.1364  O     
13   C         3.0415   36.5137  139.8234  C     
14   C         4.1527   36.5164  140.7057  C     
15   C         3.2349   37.1107  138.5473  C     
16   C         4.4347   37.7577  138.2055  C     
17   C         5.4845   37.8288  139.1316  C     
18   C         5.3468   37.1855  140.3742  C     
19   O         6.5810   38.5603  138.8157  O     
20   O        -2.7720   37.9800  141.3073  O     
21   O         1.8887   36.4338  142.5046  O     
22   H        -3.5490   38.3455  138.8977  H     
23   H        -0.3621   36.3943  136.9720  H     
24   H        -3.5324   37.6906  136.6588  H     
25   H         4.1100   36.0454  141.6096  H     
26   H         2.4793   37.1416  137.8579  H     
27   H         4.5224   38.2211  137.2965  H     
28   H         6.1058   37.2288  141.0555  H     
29   H         7.2280   38.4226  139.5436  H     
30   H        -2.2933   38.7760  141.6160  H     
31   H         2.3444   35.5853  142.7019  H     
@<TRIPOS>BOND
     1    1    2 1
     2    1    6 2
     3    1   20 1
     4    2    3 2
     5    3    4 1
     6    3    5 1
     7    4    7 2
     8    6    7 1
     9    6    8 1
    10    7   12 1
    11    8   10 1
    12    8   11 2
    13    9   10 2
    14    9   12 1
    15    9   13 1
    16   10   21 1
    17   13   14 1
    18   13   15 2
    19   14   18 2
    20   15   16 1
    21   16   17 2
    22   17   18 1
    23   17   19 1
    24    2   22 1
    25    4   23 1
    26    5   24 1
    27   14   25 1
    28   15   26 1
    29   16   27 1
    30   18   28 1
    31   19   29 1
    32   20   30 1
    33   21   31 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 6.2829
  Crash		| -1.5134
  Polar		| 1.7801
  FragIndex	| 1
  FragRMSD	| 0.561