COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   10.5975   -1.6265   24.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9876   -2.4972   23.3994 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   -2.3484   23.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9288   -3.2311   22.3401 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0397   -4.7166   22.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4621   -2.8051   21.9660 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4266   -3.1085   23.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5671   -2.0982   24.5513 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3532   -1.4007   21.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4668   -0.2249   22.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3963    1.0427   21.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1859    1.1744   20.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0190    0.0317   19.3806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7201    0.1935   17.5198 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0801   -1.2369   19.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.258377

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
    5.6183   -0.0012   26.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1674   -1.0474   25.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1412   -1.6856   24.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7556   -2.7964   23.7339 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6702   -3.4858   22.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9796   -2.3138   22.8727 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6828   -3.4659   22.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1636   -4.8702   23.0913 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7068   -1.0412   22.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9589    0.2496   22.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7362    1.3947   21.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2313    1.2861   20.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9256    0.0281   19.9861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2267   -0.1367   18.2360 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.1388   -1.1182   20.7563 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.047733

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
    7.9912   -4.2501   22.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3105   -3.3249   23.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2107   -2.3148   23.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4791   -1.3723   24.5125 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4280   -0.2734   25.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1337   -0.7983   23.9352 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3067    0.0046   24.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6297   -0.9578   26.3221 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2752   -0.1245   22.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6158    1.2351   22.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7706    1.8280   21.1592 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5661    1.0857   20.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1791   -0.2435   20.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8852   -1.2650   18.5471 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0149   -0.8371   21.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.036412

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
    4.8752    2.7684   22.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2407    1.6165   23.1325 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2815    1.9347   24.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8099    0.6447   24.7112 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6691   -0.1167   25.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6374   -0.2606   23.7271 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4391   -1.3825   24.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4574   -2.3951   23.3867 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8550   -0.7145   22.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2296   -1.9741   22.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4979   -2.3632   21.2752 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3890   -1.5139   20.1805 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0392   -0.2872   20.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9109    0.8758   18.7232 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.7787    0.1013   21.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.034355

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   12.0159    0.4308   24.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2305   -0.3527   23.8875 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8756   -0.4178   24.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0421   -1.2686   23.3667 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4897   -2.7379   23.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4903   -1.0977   23.5550 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0272   -1.2508   25.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2710   -1.0815   25.3040 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8920    0.1094   22.8035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5737    1.3162   23.4563 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0599    2.4139   22.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8254    2.3312   21.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0822    1.1358   20.7342 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7577    1.0025   18.8754 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5877    0.0336   21.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.146235

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.8683   -2.5290   20.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711   -1.5304   20.9786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3717   -0.2402   20.4398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5452    0.8331   21.1692 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8592    2.2292   20.6089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688    0.7629   22.7352 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2088    1.8151   23.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1293    1.7642   25.2541 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183    0.6446   23.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6409   -0.5652   23.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9465   -0.6537   24.2384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7785    0.4595   24.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3048    1.6514   23.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4281    3.1729   23.6585 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031    1.7411   23.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.016716

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
    0.9580    8.5067   21.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7688    9.6438   21.7397 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    9.5315   23.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2742   10.7457   23.2949 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9229   10.6460   24.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3215   11.0024   22.1504 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1045   12.3359   22.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   12.2991   23.5128 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1874    9.7749   21.7993 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0809    9.1117   20.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8916    8.0186   20.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8178    7.5392   21.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9069    8.1428   22.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1541    7.4954   23.6747 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0919    9.2302   22.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.032918

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
    5.1405    1.9522   13.5717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9897    2.5244   14.1831 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1117    3.9481   14.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8571    4.5499   14.9000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9631    6.0816   14.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5123    4.0583   14.2501 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2448    4.5705   14.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3130    4.1031   14.2562 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4685    4.1888   12.7136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    3.0791   11.8620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5620    3.2040   10.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3475    4.4470    9.8881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2331    5.5654   10.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526    7.2665    9.9251 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3127    5.4456   12.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.006152

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   14.4662    6.3322   34.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9059    5.0371   34.6918 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4775    5.1077   34.7035 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8873    3.6877   34.7518 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0974    3.0629   36.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    3.6134   34.2699 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1405    4.3504   32.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4388    4.4019   32.3868 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.7641    2.2083   34.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9945    1.2104   33.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4443   -0.0689   33.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6264   -0.3832   34.6062 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3415    0.5980   35.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2206    0.1903   37.0148 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.8827    1.8805   35.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.015375

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.2290   39.7636    9.5519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9365   39.4595   10.0642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0174   39.2247    8.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797   38.9258    9.5649 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3815   38.6621    8.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8856   40.0109   10.5844 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2110   39.6176   11.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8377   40.8167   12.4618 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8361   41.4556   10.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8116   41.9609    9.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7405   43.2622    8.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7043   44.1073    9.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7579   43.6508    9.9461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6523   44.7921   10.4817 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.8308   42.3535   10.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.001560

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   39.4363  -18.1255   11.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8590  -17.3465   12.4328 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.6446  -16.1764   12.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9895  -15.3309   13.7815 C   0  0  1  0  0  0  0  0  0  0  0  0
   39.8187  -14.0668   14.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4716  -15.0180   13.5154 C   0  0  1  0  0  0  0  0  0  0  0  0
   36.7677  -14.3140   14.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0426  -13.9280   14.4621 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   37.1875  -14.3984   12.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4093  -13.0340   11.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1768  -12.4894   10.5950 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6920  -13.2874    9.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4160  -14.6244    9.8196 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7448  -15.7217    8.4326 Br  0  0  0  0  0  0  0  0  0  0  0  0
   36.6390  -15.1702   11.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.004649

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   10.1119   -3.9277    5.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0310   -3.0413    5.0553 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9945   -3.7187    4.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8246   -2.7535    4.0816 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7024   -3.4607    3.3058 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3075   -2.0336    5.3805 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2468   -0.9323    5.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6163   -0.0866    6.5353 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9603   -2.9922    6.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7490   -3.7097    6.5798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4577   -4.5984    7.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3584   -4.7793    8.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5372   -4.0453    8.6712 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7688   -4.2708   10.0891 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8278   -3.1495    7.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.000052

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   47.6411   60.8699  -16.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.5645   60.3889  -17.2383 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.3595   61.2411  -18.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2056   60.6963  -19.2277 C   0  0  1  0  0  0  0  0  0  0  0  0
   44.8910   61.6601  -20.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4289   59.2170  -19.7121 C   0  0  1  0  0  0  0  0  0  0  0  0
   46.7681   59.0134  -20.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.0755   57.3513  -21.0508 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   45.1160   58.1486  -18.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8041   57.7025  -18.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5355   56.7122  -17.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5681   56.1540  -16.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8645   56.6128  -16.8913 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.2801   55.8720  -15.8786 Br  0  0  0  0  0  0  0  0  0  0  0  0
   46.1356   57.6088  -17.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.003835

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
    9.1358   -8.5393    9.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7861   -9.7485    8.5417 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9621  -10.4709    8.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655  -11.7859    7.4736 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.8165  -12.5805    7.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5390  -12.6450    8.2988 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9974  -13.8769    7.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013  -13.5001    6.0215 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9770  -12.9304    9.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9023  -13.9434   10.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3148  -14.1736   11.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7964  -13.4136   12.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8439  -12.4429   12.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1194  -11.4075   13.5528 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.4227  -12.2159   10.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.005186

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
 -225.1271  105.3291  274.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
 -225.1459  106.7364  274.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
 -224.3090  107.0863  273.6462 C   0  0  0  0  0  0  0  0  0  0  0  0
 -224.3611  108.6066  273.4156 C   0  0  1  0  0  0  0  0  0  0  0  0
 -223.4062  109.0137  272.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
 -225.8188  109.1603  273.2126 C   0  0  1  0  0  0  0  0  0  0  0  0
 -226.5873  108.4648  272.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
 -228.2386  109.0745  271.7561 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 -226.6193  109.3266  274.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
 -226.4512  110.4407  275.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
 -227.2035  110.5960  276.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
 -228.1306  109.6297  276.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
 -228.2789  108.4965  276.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
 -229.5279  107.1661  276.6151 Br  0  0  0  0  0  0  0  0  0  0  0  0
 -227.5223  108.3337  274.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.002294

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   23.7738  -11.7155   34.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4713  -11.2883   32.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9518  -10.0391   32.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7293   -9.5834   31.2483 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.1843   -8.2423   30.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2885   -9.5699   31.4518 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.0790   -9.2753   30.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8627  -10.4686   28.8352 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   26.7568   -8.7808   32.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1487   -9.4208   33.8838 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5999   -8.6972   34.9913 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6504   -7.3089   34.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2208   -6.6508   33.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2720   -4.7612   33.7366 Br  0  0  0  0  0  0  0  0  0  0  0  0
   26.7609   -7.3707   32.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.008624

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   48.6441  -38.5522   13.6733 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.2712  -37.2974   13.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
   50.5052  -37.2100   14.1510 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.1767  -35.8552   13.8674 C   0  0  1  0  0  0  0  0  0  0  0  0
   52.5012  -35.7375   14.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.3331  -35.5416   12.3344 C   0  0  1  0  0  0  0  0  0  0  0  0
   51.8429  -34.1002   12.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.7755  -32.7855   12.6128 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   52.0346  -36.6556   11.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.3179  -37.5712   10.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.9662  -38.5579    9.9870 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.3503  -38.6754   10.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.0767  -37.8182   10.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.9605  -37.9720   10.9231 Br  0  0  0  0  0  0  0  0  0  0  0  0
   53.4313  -36.8362   11.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.004317

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
    1.5472   24.8656   19.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3765   23.4772   19.1236 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9877   22.6953   20.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7868   21.1988   19.8581 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5751   20.3405   20.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754   20.7781   19.7520 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5541   21.1314   21.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2658   20.6263   20.9784 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3905   21.1474   18.4103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1514   22.3216   18.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7254   22.6615   17.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   21.8253   15.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8745   20.6360   16.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6725   19.4808   14.5819 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   20.2888   17.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.018515

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   16.5629   55.7914   18.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5779   55.0235   19.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1995   55.6669   20.2295 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1258   54.8306   20.9470 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7883   55.4444   22.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8499   54.5615   20.0681 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2729   55.8462   19.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5443   57.0236   20.5346 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.9745   53.3432   19.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4213   53.4639   17.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5590   52.3492   16.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2310   51.0811   17.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390   50.9409   18.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2768   49.2236   19.3679 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.5919   52.0542   19.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.001864

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   -7.0211   20.1695   14.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8218   18.7746   14.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1154   18.0511   15.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8923   16.5468   15.7116 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4035   16.2531   15.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5184   15.6390   16.8326 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.4718   14.1213   16.4953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1519   13.0398   17.7421 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.0738   16.0052   18.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9020   16.7281   19.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5007   17.0285   20.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2484   16.6363   20.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3920   15.9674   20.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6795   15.4366   20.6448 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7865   15.6730   18.7340 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.002679

$$$$
COCC(C)C(CCl)c1cccc(Br)c1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 15 15  0  0  0  0  0  0  0  0999 V2000
   11.7547   95.6336   78.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4971   95.2849   80.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1954   94.0867   80.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8950   93.7175   81.8553 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4171   93.3306   82.0218 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8772   92.6401   82.4444 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3708   93.0709   82.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5310   91.8944   83.0654 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4194   92.0353   83.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3798   92.7912   84.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9347   92.2411   86.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5381   90.9105   86.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6163   90.1291   85.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0914   88.3131   85.1646 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.0690   90.6733   83.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CCl)c1cccc(Br)c1

>  <TransFSScore>
0.003273

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.9588   -0.9606   18.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6370   -0.5607   19.8415 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1805   -1.2861   20.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9373   -0.7996   22.2412 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2951    0.5152   22.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9648   -1.8881   23.3619 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5989   -3.2122   22.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9847   -3.0575   22.5705 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6743   -1.4234   24.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0532   -1.6305   25.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6749   -1.2334   27.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9258   -0.6267   27.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7636   -0.0786   28.6243 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.5641   -0.4216   25.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9414   -0.8208   24.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2902   -3.8968   22.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.023923

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    4.3078   -0.3609   26.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7813   -1.5166   25.9025 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4861   -1.1765   24.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0218   -2.4628   24.0393 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8313   -3.2393   23.4463 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1163   -2.1505   22.9686 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7779   -3.4379   22.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5985   -4.0717   23.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5953   -1.3065   21.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8309    0.0798   21.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3838    0.8802   20.7443 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6981    0.3010   19.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0827    1.3845   18.2603 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4632   -1.0727   19.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9125   -1.8736   20.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3160   -3.4506   23.6199 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.044594

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    9.5640    0.0235   27.9572 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3480    0.2422   26.5681 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4424   -0.7148   26.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1899   -0.3857   24.5260 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4745   -0.6888   23.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9516   -1.1540   23.9622 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6662   -0.8605   24.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5815   -1.6941   24.3688 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6935   -0.8769   22.4777 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3353   -1.9427   21.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0786   -1.7274   20.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1756   -0.4426   19.7531 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8393   -0.1513   17.9160 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5185    0.6300   20.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7741    0.4136   21.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8618   -2.6172   24.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.045968

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.9313   -3.7872   23.7821 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2631   -2.4184   23.5816 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4012   -2.0290   24.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6678   -0.5202   24.1556 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5010    0.2692   24.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0511   -0.0919   24.7428 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2372   -0.5719   26.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4945   -0.1642   26.7392 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2382   -0.5609   23.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2599    0.3526   23.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3648   -0.0412   22.8229 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4593   -1.3541   22.3730 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9484   -1.8857   21.3373 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.4632   -2.2787   22.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3579   -1.8838   23.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6132    0.7757   26.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.056218

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.2097   -1.7099   26.8495 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4358   -1.4015   25.6963 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2603   -1.1007   24.5681 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8699   -2.4064   24.0112 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7383   -3.2534   23.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0158   -2.1230   22.9874 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6767   -3.4269   22.4784 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2770   -4.1671   23.5398 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5622   -1.2795   21.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8687    0.0926   21.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4843    0.8914   20.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7912    0.3246   19.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2606    1.4065   18.1643 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4866   -1.0356   19.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8730   -1.8349   20.7026 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6621   -4.9716   23.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.032488

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.5524    1.3036   27.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5119    0.9165   26.1961 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412   -0.5008   26.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6709   -0.8706   25.0260 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2912   -0.3471   23.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0585   -0.3324   25.5021 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4291   -0.8479   26.9138 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788   -0.0805   27.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1965   -0.6504   24.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2275    0.2886   24.3464 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2890    0.0287   23.4766 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3306   -1.1747   22.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7607   -1.5232   21.5944 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.3247   -2.1241   22.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2629   -1.8635   23.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1459    0.8289   27.6065 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.149466

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   13.4867    0.4265   23.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4205   -0.4928   22.9498 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3035   -0.2080   23.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1903   -1.2503   23.5482 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6659   -2.6119   24.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8295   -0.8079   24.1761 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7132   -1.8544   23.9421 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8557   -2.5100   22.6832 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9289   -0.4926   25.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5922    0.7953   26.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6568    1.1165   27.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0570    0.1514   28.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1556    0.5878   30.2379 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.3848   -1.1345   27.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3185   -1.4556   26.6154 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9543   -1.8160   22.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.070286

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.1209   -3.0737   26.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2470   -2.2997   25.4319 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6087   -2.1896   25.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6915   -1.2882   23.7597 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1245   -0.7354   23.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2475   -2.0456   22.4671 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8752   -2.7399   22.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9977   -4.0000   23.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2126   -1.1502   21.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1393   -1.7450   19.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0915   -0.9617   18.7969 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1145    0.4251   18.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    1.4863   17.3396 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    1.0355   20.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2225    0.2504   21.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0953   -4.3353   23.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.173348

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    8.3205    6.6157   27.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0782    6.5670   26.4735 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0827    7.5114   26.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7603    7.3182   24.5749 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8333    6.0973   24.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1458    8.6075   23.9411 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1552    9.7807   23.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5346   11.0063   23.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5886    8.3811   22.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2183    8.5889   22.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760    8.4063   21.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002    8.0159   19.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7658    7.7575   18.2478 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8633    7.8149   20.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4056    7.9993   21.4568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887   11.2317   24.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.044610

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   13.8147   11.7215   31.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5300   10.4877   30.4104 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7010    9.6810   30.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3251    8.3405   29.5961 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6070    7.5060   29.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2285    7.5743   30.4034 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7103    6.3291   29.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1949    6.6684   28.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6879    7.1627   31.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3162    7.9520   32.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7041    7.6016   34.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    6.4562   34.4087 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0014    5.9866   36.1597 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.8366    5.6535   33.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4466    6.0045   32.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9454    6.9784   27.8193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.015366

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.0627    4.3460   28.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9615    4.9597   27.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3879    6.1167   26.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4003    6.7311   25.6034 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5936    7.2870   26.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8454    5.7024   24.5147 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6550    5.2143   23.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    6.2906   22.9645 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9537    6.2332   23.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1680    5.5294   23.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1965    5.9743   22.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0193    7.1269   21.9220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    7.7364   20.8016 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.8196    7.8338   21.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7898    7.3868   22.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3389    6.8927   23.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.015527

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    1.6552    2.9566   18.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4718    3.4399   17.4995 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9554    4.7766   17.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219    5.2506   15.8981 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6452    4.4449   14.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2194    5.1384   15.4840 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6724    6.1440   16.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7213    5.8521   17.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0058    5.3026   13.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6793    4.2908   13.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9156    4.4109   11.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4822    5.5460   11.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7915    5.7049    9.3638 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.1777    6.5658   11.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4128    6.4453   13.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819    4.9519   17.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.061307

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.7438   -0.4907   14.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8210    0.5920   14.2639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3003    1.7077   15.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2689    2.8560   14.9533 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2338    3.4025   13.5139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5752    3.9728   16.0025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5461    3.4324   17.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8344    4.4539   18.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6402    5.1812   15.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2495    4.9792   15.9358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3651    6.0541   15.8214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    7.3422   15.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6683    8.7994   15.5125 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2384    7.5637   15.5960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1232    6.4865   15.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7238    4.7951   18.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.014240

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.8345    4.3166    6.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077    4.6613    6.3704 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7704    4.1250    7.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2544    4.5412    7.6751 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3214    6.0634    7.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0040    3.7456    8.7916 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5168    4.0718    8.8227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2000    3.3265    9.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4073    3.9556   10.1871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6260    2.9361   10.7593 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0767    3.0849   12.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3056    4.2549   12.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5537    4.4624   14.4734 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.0860    5.2736   12.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6367    5.1231   10.9309 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1376    3.5888    9.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.003986

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   -5.4341   -0.1606   40.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5409   -1.4309   40.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4302   -1.6911   39.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5857   -3.0908   38.5536 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3857   -3.3420   37.6216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7373   -4.2072   39.6364 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9833   -5.5994   39.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1916   -5.6332   38.2487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5451   -4.2839   40.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6787   -3.7708   41.8980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6189   -3.8351   42.8055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4152   -4.4157   42.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0236   -4.4935   43.6428 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649   -4.9402   41.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3271   -4.8765   40.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2784   -6.5330   37.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.000701

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   32.9630   21.7122    9.9701 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3102   22.9228    9.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8927   22.8302    9.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2410   24.1763    9.3763 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.7149   24.0457    9.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8233   25.3648   10.2069 C   0  0  1  0  0  0  0  0  0  0  0  0
   30.2428   26.7277    9.7582 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7901   27.8107   10.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6282   25.1987   11.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7288   24.8404   12.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5935   24.6932   13.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3554   24.9053   14.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1681   24.6957   16.3651 Br  0  0  0  0  0  0  0  0  0  0  0  0
   29.2538   25.2717   13.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3906   25.4202   12.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7517   27.8121   10.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.002121

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  -12.4132   10.2917   47.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4380   11.3171   47.3840 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3336   11.7608   48.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2614   12.8686   48.8381 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.7721   14.1132   48.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8869   13.1844   50.3219 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.2942   11.9520   51.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9868   12.2358   52.4109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9278   14.3707   50.4633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2972   15.4583   51.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4437   16.5516   51.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2107   16.5666   50.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0593   18.0504   51.0084 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -6.8201   15.4941   49.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6749   14.3992   49.8320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6212   11.4205   52.7992 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.000997

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    4.2374   24.8098   26.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6311   25.1065   25.0775 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9143   24.5585   24.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1357   24.5938   23.2392 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3855   23.4060   22.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7038   25.9620   22.6203 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3599   27.1617   23.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4485   27.8094   24.2316 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9823   26.0595   21.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9284   26.3824   20.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1461   26.4941   18.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214   26.2858   18.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7153   26.4257   16.4915 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.4825   25.9755   19.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2638   25.8652   20.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0332   27.1156   24.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.007197

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
  -55.1225   -5.8398   41.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
  -55.3078   -4.9975   42.1734 O   0  0  0  0  0  0  0  0  0  0  0  0
  -54.0900   -4.8034   42.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
  -54.3465   -3.8670   44.0979 C   0  0  1  0  0  0  0  0  0  0  0  0
  -53.0226   -3.6759   44.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
  -54.9737   -2.5070   43.6521 C   0  0  1  0  0  0  0  0  0  0  0  0
  -55.3105   -1.5983   44.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
  -55.9963   -0.4139   44.4569 O   0  0  0  0  0  0  0  0  0  0  0  0
  -54.0984   -1.7347   42.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
  -54.4803   -1.6790   41.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
  -53.7158   -0.9733   40.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.5623   -0.3143   40.7881 C   0  0  0  0  0  0  0  0  0  0  0  0
  -51.5206    0.6319   39.5262 Br  0  0  0  0  0  0  0  0  0  0  0  0
  -52.1714   -0.3475   42.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
  -52.9383   -1.0533   43.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
  -55.3945    0.0832   43.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.000716

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   31.1606  -37.4917   31.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3706  -36.6051   30.7997 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3018  -37.1374   29.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4863  -36.1373   28.6920 C   0  0  1  0  0  0  0  0  0  0  0  0
   33.1974  -34.8829   29.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2510  -36.7781   27.4894 C   0  0  1  0  0  0  0  0  0  0  0  0
   32.4949  -37.9937   26.9005 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2014  -38.5802   25.8088 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.5625  -35.7790   26.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8955  -35.6045   25.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2173  -34.7134   24.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2079  -33.9892   24.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6430  -32.7746   22.9250 Br  0  0  0  0  0  0  0  0  0  0  0  0
   32.8787  -34.1549   24.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5573  -35.0485   25.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0653  -38.8742   26.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.000659

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   26.0216   16.1287   18.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9112   15.9123   19.4680 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.7028   15.6986   18.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5401   15.4427   19.7197 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.2490   15.2292   18.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8415   14.2451   20.6771 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.7151   14.0345   21.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5742   15.1601   22.5826 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1044   12.9304   19.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0193   12.2218   19.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2205   11.0270   18.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5101   10.5302   18.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7830    8.9076   17.6071 Br  0  0  0  0  0  0  0  0  0  0  0  0
   24.6010   11.2221   19.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3988   12.4192   19.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3199   15.9194   22.0277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.029007

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   16.3840  -13.2653   20.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1613  -12.6679   21.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0523  -13.1374   20.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7552  -12.4621   21.1350 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6350  -12.7420   20.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3731  -12.9282   22.5766 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4054  -12.4619   23.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0892  -12.9482   24.9348 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703  -12.4838   23.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0345  -13.4551   23.4009 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7504  -13.0877   23.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3905  -11.7442   23.8264 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6496  -11.2462   24.3687 Br  0  0  0  0  0  0  0  0  0  0  0  0
    9.3060  -10.7643   23.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5920  -11.1330   23.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2317  -12.5604   25.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.000721

$$$$
COCC(C)C(CO)c1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    8.0891  -17.4910    5.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7776  -17.2166    6.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8614  -18.1239    7.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5740  -17.7750    8.3957 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6152  -18.0787    9.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364  -18.5267    8.5391 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7889  -20.0488    8.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0437  -20.6799    9.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0327  -17.9696    7.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1839  -17.4039    8.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2110  -16.8983    7.4013 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0973  -16.9557    6.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4814  -16.2619    4.9318 Br  0  0  0  0  0  0  0  0  0  0  0  0
   13.9696  -17.5220    5.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9423  -18.0292    6.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5383  -20.5488   10.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
>  <Name>
COCC(C)C(CO)c1ccc(Br)cc1

>  <TransFSScore>
0.000113

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    1.9703   -5.8938   22.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1864   -5.2830   23.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -4.8182   24.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4436   -4.1184   25.0464 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5838   -5.1360   25.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7078   -3.1093   24.0577 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7770   -2.2324   24.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9073   -1.1223   23.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0491   -1.7331   22.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1094   -0.9026   21.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4843    0.4412   21.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5174    1.1790   19.8397 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1717    0.5694   18.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2309    1.5652   17.0300 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7874   -0.7672   18.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7553   -1.4996   19.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.133495

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    1.2466   -4.1069   24.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368   -3.8165   24.6092 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4168   -4.9162   25.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9137   -4.5692   25.0134 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7591   -5.7676   25.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2170   -4.1758   23.6647 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5106   -3.5883   23.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6813   -3.0406   22.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8262   -1.9048   21.9712 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9002   -1.2062   20.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857   -1.6637   19.5475 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6047   -0.8382   18.4230 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1415    0.4410   18.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2878    1.5573   17.0371 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    0.9020   19.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4460    0.0745   20.9163 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.117441

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.3600   -3.6401   24.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6784   -3.1125   25.0022 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6078   -3.9724   24.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0282   -3.3908   24.4406 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5525   -3.5084   25.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653   -4.1030   23.5144 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1638   -3.5283   23.3654 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0595   -2.1810   22.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6466   -2.4204   21.3129 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7453   -1.3778   20.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1565   -0.0818   20.7474 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2270    0.8938   19.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8823    0.5689   18.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9920    1.8852   17.0835 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.4620   -0.7181   18.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3927   -1.6885   19.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.099990

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.5240   -4.3994   24.9215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8841   -4.0249   24.7570 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762   -4.9996   25.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2337   -4.5516   25.0978 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1971   -5.6319   25.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4242   -4.2800   23.6994 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4603   -3.3321   23.4414 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3583   -2.8263   22.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2380   -1.7092   21.8698 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1869   -1.0141   20.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8109   -1.5320   19.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7880   -0.7046   18.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1449    0.6374   18.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0995    1.7542   16.9170 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5304    1.1602   19.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5523    0.3306   20.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.138449

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.4659    0.3868   27.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6494   -0.0659   27.9606 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7959    0.0601   27.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0345   -0.5197   27.8215 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8977   -2.0359   27.9781 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1907   -0.1741   27.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4192   -0.3088   27.7557 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5972   -0.0760   26.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5707   -1.0953   25.8157 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5325   -1.0440   24.8459 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4333    0.0019   24.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3825   -0.0777   23.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4238   -1.2028   22.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7155   -1.3124   21.4204 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.5234   -2.2462   22.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5775   -2.1622   24.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.040556

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    1.7629   -0.7655   27.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966   -1.7532   26.3194 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7506   -1.9751   26.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3703   -3.1025   25.8742 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5635   -4.3930   26.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3995   -2.6674   24.5047 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2134   -3.4876   23.6659 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1754   -2.9671   22.2331 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7598   -1.6638   22.2224 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558   -1.0321   21.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5102   -1.5776   19.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6446   -0.8147   18.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1276    0.4902   18.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    1.5213   17.1123 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4836    1.0390   19.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3483    0.2737   21.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.104235

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    3.1723   -0.8706   27.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9370   -1.7288   26.6815 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279   -2.7258   26.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9906   -3.6013   25.1307 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1324   -4.6786   24.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6084   -2.7435   24.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7549   -3.3243   23.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3350   -2.3592   22.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3595   -2.1706   21.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6362   -1.2391   20.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1965    0.0197   20.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4427    0.8765   19.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239    0.4710   18.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4705    1.6252   16.9087 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.5562   -0.7785   18.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3117   -1.6302   19.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.176940

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.9733   -6.1028   25.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2927   -5.5823   24.9696 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023   -4.1958   24.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7405   -3.6520   24.6658 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3063   -3.7455   26.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5282   -4.4123   23.7345 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7007   -3.7282   23.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.5725   22.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3687   -2.3906   21.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2494   -1.3471   20.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4233    0.0022   20.8628 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2854    0.9749   19.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9705    0.5929   18.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7987    1.9079   17.2160 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7859   -0.7492   18.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9241   -1.7165   19.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.124399

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.5218   -4.8240   23.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8387   -5.5678   24.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0761   -4.7205   25.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -4.1615   25.8727 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5119   -5.2900   25.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5605   -3.1743   24.8295 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7072   -2.3270   24.9071 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491   -1.2698   23.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7349   -1.9376   22.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8822   -1.1567   21.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3326    0.1637   21.4204 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4513    0.8492   20.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154    0.2112   19.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2901    1.1356   17.3739 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.6563   -1.1019   19.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5389   -1.7821   20.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.084725

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.1996   -6.8632   27.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5356   -6.2380   25.9896 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918   -4.8175   26.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7468   -4.1881   24.9455 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2999   -4.6844   24.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8083   -2.7594   25.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0502   -2.1989   24.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499   -2.2498   23.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2095   -1.3801   22.7409 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1784   -0.9077   21.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7768   -1.6268   20.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7790   -1.0170   19.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1866    0.3094   18.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1751    1.1330   17.2429 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.5977    1.0312   20.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5944    0.4183   21.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.043470

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.7352   -2.3514   27.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5537   -2.9604   26.2401 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1902   -3.3183   26.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -4.0068   24.6407 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6025   -4.4477   24.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4831   -3.0799   23.6313 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8759   -3.1763   23.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2653   -2.1101   22.3141 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3701   -2.2119   21.2057 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5830   -1.3685   20.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7299   -1.7494   18.8172 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9303   -0.7793   17.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9862    0.5682   18.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2432    1.8756   16.8382 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.8503    0.9565   19.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510   -0.0152   20.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.135342

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   10.7144   -0.4313   23.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7472   -0.2340   24.6469 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7985   -1.2621   25.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8932   -0.8958   26.8256 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5202    0.2346   27.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6086   -0.5170   26.3042 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8164   -1.6282   25.8842 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9442   -1.8190   24.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4617   -0.6347   23.7406 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3534   -0.6572   22.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -1.7749   21.6012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9530   -1.6583   20.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1687   -0.4235   19.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268   -0.2673   17.7222 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.4837    0.6942   20.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5773    0.5730   21.7550 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.040289

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.2123   -1.3711   26.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -2.4573   26.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7408   -2.7965   25.7689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6728   -3.9541   24.7584 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2325   -4.4502   24.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -3.4808   23.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6220   -3.4815   23.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0910   -2.9164   22.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6343   -1.5662   22.0216 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7791   -0.9382   20.8161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5971   -1.5237   19.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7640   -0.7612   18.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1158    0.5837   18.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3267    1.6129   16.9265 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3086    1.1734   19.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1415    0.4084   20.8999 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.044808

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    6.1446   -0.2272   18.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6383    0.9743   19.0164 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507    0.8699   19.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7381    2.2062   19.9026 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2084    2.2430   19.8785 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2463    2.3484   21.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6486    2.6123   21.2885 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1360    2.5730   22.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0992    1.2147   23.1731 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7926    0.9077   24.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7264    1.6003   25.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4817    1.1706   26.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3030    0.0510   26.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3105   -0.5338   27.9872 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.3826   -0.6400   25.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6274   -0.2072   24.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.034118

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    6.3878   -2.0579   25.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3609   -0.9526   24.5446 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0093    0.2619   25.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475    0.8675   25.8920 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9673    2.3091   26.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5838    0.0389   27.0172 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8987    0.2732   27.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9268   -0.4347   26.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8995    0.1751   25.3546 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7371   -0.3376   24.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6417   -1.6051   23.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5606   -2.0035   22.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5736   -1.1323   22.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8037   -1.6688   21.1235 Br  0  0  0  0  0  0  0  0  0  0  0  0
   12.6822    0.1297   23.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7632    0.5228   24.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.090078

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
   -3.9406   -3.6524   26.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0091   -3.2577   25.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6782   -3.1793   25.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7080   -2.7487   24.4377 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0018   -1.3118   24.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6316   -2.8817   24.9410 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0553   -4.2385   25.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3836   -4.2980   25.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7118   -5.6728   26.0281 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8212   -5.9445   26.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9743   -5.1619   26.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0387   -5.5484   27.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9457   -6.7188   28.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3792   -7.2299   29.5403 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8038   -7.5103   28.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7442   -7.1209   27.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.029289

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    4.0704   -5.8101   28.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900   -5.1885   27.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6196   -5.1190   26.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2396   -4.4783   25.2530 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1970   -4.3710   24.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7499   -3.1862   25.6217 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8884   -2.7867   24.8584 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4394   -2.1350   23.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6081   -1.7900   22.8098 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4277   -1.0647   21.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6396    0.3072   21.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4298    0.9278   20.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0054    0.1729   19.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7366    1.0120   17.5245 Br  0  0  0  0  0  0  0  0  0  0  0  0
    5.7824   -1.1938   19.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9926   -1.8088   20.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.052545

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    1.5854   -4.4167   26.8713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9171   -3.9650   27.0697 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3204   -3.0325   26.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0629   -3.7637   24.9341 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0725   -4.5314   24.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7894   -2.7836   24.1743 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8770   -3.3338   23.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3647   -2.3248   22.3968 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2636   -1.9969   21.5481 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.2441   20.4392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2993   -1.6247   19.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6084   -0.7491   18.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1526    0.5029   18.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5557    1.6873   16.9327 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.3970    0.8871   19.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0874    0.0098   20.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.239591

$$$$
COCC(C)OCCOc1ccc(Br)cc1
 OpenBabel03162018053D
libRbt.so/2013.1/901 2013/11/27
 16 16  0  0  0  0  0  0  0  0999 V2000
    5.6650   -5.5958   25.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1057   -4.4972   26.0732 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0785   -3.4881   26.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4358   -2.3388   27.1440 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9482   -2.8397   28.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4151   -1.2967   27.2873 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6267   -0.5481   26.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3817    0.2676   25.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6866    1.1011   24.6394 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7821    0.4960   23.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7162   -0.8770   23.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8146   -1.3676   21.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9820   -0.4818   20.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1007   -1.1472   19.0431 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.0584    0.8879   21.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9602    1.3731   22.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
>  <Name>
COCC(C)OCCOc1ccc(Br)cc1

>  <TransFSScore>
0.900000

$$$$
