NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   46.1290  -70.1391   84.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6767  -70.1597   84.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7005  -70.0252   83.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2683  -70.0772   83.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3886  -69.8732   83.1118 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.9498  -70.4402   85.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9143  -70.5882   86.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3098  -70.3097   85.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2289  -70.1883   86.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9051  -70.2078   88.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6986  -70.5788   88.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6357  -71.0968   87.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2032  -70.6979   88.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9143  -70.8139   89.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9152  -70.0040   90.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3717  -70.5473   90.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3758  -69.6679   91.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8715  -69.0021   92.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6422  -69.6175   93.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5469  -70.1651   92.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1282  -69.6002   92.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7058  -69.5890   93.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8184  -69.0272   94.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0286  -68.5235   94.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3249  -71.0055   94.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1770  -70.7393   94.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5740  -72.0156   90.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7766  -68.5101   90.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7132  -72.6440   87.6176 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9580  -69.8325   82.1916 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0727  -69.7374   81.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.4895  -68.6600   93.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0365  -68.1558   94.9764 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.9472  -68.3419   92.7698 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.2217  -67.7241   93.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-8.52260

$$$$
NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   40.1872  -77.4485   85.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.0244  -76.2389   85.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7057  -76.1588   84.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5056  -74.9448   83.8832 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1866  -74.9171   82.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4006  -73.7772   84.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7152  -73.8353   85.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1202  -75.1271   86.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6795  -75.2612   87.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8556  -74.2532   88.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2648  -72.9967   88.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4691  -72.5910   86.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6340  -71.5792   86.7030 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7117  -70.4949   87.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7799  -71.0763   89.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4841  -71.9391   89.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6067  -72.5864   90.8993 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4433  -71.8558   91.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6684  -70.3374   91.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8676  -69.8905   90.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1587  -69.0409   90.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4177  -67.9355   91.1351 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2196  -68.4488   92.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9153  -69.9463   92.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4958  -66.7256   90.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4475  -69.6271   92.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1777  -71.0960   89.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0696  -71.9594   89.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1714  -71.9452   86.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7088  -77.1755   83.2684 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.3054  -76.8567   82.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
   45.8841  -67.5239   90.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.6089  -67.0517   91.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.3974  -67.7944   89.7472 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.3328  -67.5099   89.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-7.96573

$$$$
NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   43.5411  -68.1228   84.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8609  -69.5893   84.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1085  -70.0044   84.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4176  -71.4582   84.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.5404  -71.8217   84.1305 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.3689  -72.4247   84.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1161  -72.0273   85.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7900  -70.5934   85.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4938  -70.2340   85.0530 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4085  -71.1798   85.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5820  -72.4949   85.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0110  -72.9987   85.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2506  -74.4290   85.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.0746  -75.3969   85.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7658  -74.8594   84.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3787  -73.5001   85.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1091  -72.9287   84.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1453  -73.9204   83.9415 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1506  -75.3838   84.4348 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5895  -75.9228   84.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9211  -77.2662   84.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8057  -78.3349   84.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4332  -77.7391   83.7027 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5208  -76.2627   83.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6974  -79.0121   85.4696 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1801  -75.4507   85.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0057  -73.6693   86.8284 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0826  -74.6450   83.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2096  -73.0141   87.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.1587  -69.1286   84.3576 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.9233  -69.7042   84.1412 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.2065  -79.3645   83.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9945  -79.1878   82.1112 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.6678  -80.5853   83.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0507  -81.1187   82.4779 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-7.82526

$$$$
NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   44.8511  -70.5717   87.8109 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9770  -70.6160   86.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0346  -69.6442   85.6548 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1866  -69.7153   84.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1893  -68.7833   83.6314 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4110  -70.9471   84.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3486  -71.9353   85.1038 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.0248  -71.7301   86.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7402  -72.5793   87.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7349  -73.6064   87.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1493  -73.9684   86.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6483  -73.3085   84.8380 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4888  -73.1282   83.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5020  -74.2935   83.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8709  -74.6600   85.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0284  -75.0636   86.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3870  -75.3470   87.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9310  -75.8324   87.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.3509  -76.5148   86.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8494  -75.8738   84.9371 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6690  -75.4955   83.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5489  -76.5485   83.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1024  -77.1183   85.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7986  -76.4364   86.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0042  -77.7040   82.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7256  -78.0225   86.3883 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7730  -76.3614   85.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1204  -73.3798   85.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7481  -74.1899   84.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8635  -68.5418   85.7736 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.6716  -67.9984   84.9795 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.3609  -75.8150   83.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3255  -74.6361   82.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3055  -76.6032   82.9313 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6653  -75.9953   82.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-7.55084

$$$$
NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   37.0976  -77.0449   82.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9829  -75.6692   83.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8016  -75.0258   83.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6961  -73.6787   84.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6306  -73.0683   84.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8732  -73.1443   84.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0622  -73.7790   84.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1846  -75.0006   84.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.4186  -75.4766   83.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6250  -74.7999   84.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6386  -73.7560   85.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2975  -73.3200   85.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2523  -71.7861   85.9692 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5528  -71.1507   86.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7666  -71.4561   85.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9696  -73.0193   85.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1390  -73.3152   84.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2231  -72.2439   84.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4268  -71.2108   85.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.0811  -70.7558   86.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9306  -69.2054   86.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1835  -68.4067   86.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4554  -68.8960   85.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1592  -69.9802   84.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4010  -68.4970   88.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4115  -71.8516   86.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3802  -73.6395   86.8405 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4052  -70.8735   84.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1213  -74.0268   87.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6375  -75.5602   83.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9577  -74.8674   83.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.9169  -66.9536   86.1641 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7586  -66.5407   85.0254 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.7815  -66.1015   87.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.5808  -65.2432   86.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-7.20167

$$$$
NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   33.8590  -82.5166   83.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5241  -81.1519   83.9032 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2462  -80.7714   84.0856 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9294  -79.4307   84.6528 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7599  -79.0646   84.7394 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0428  -78.6037   85.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3288  -78.9725   84.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6089  -80.2029   84.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8741  -80.4256   83.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9434  -79.4790   84.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8385  -78.3901   84.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5323  -78.1960   85.6209 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1790  -76.6937   85.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3607  -75.7598   86.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4794  -75.8755   84.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0122  -77.3604   84.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0760  -77.4825   83.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8626  -76.2249   83.4038 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9802  -75.0841   84.4381 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6707  -74.8691   85.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1881  -73.3877   85.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2783  -72.3106   85.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5194  -72.5773   84.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3360  -73.7800   83.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7088  -72.2292   86.9502 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2076  -75.4173   85.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7256  -77.7671   86.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8165  -75.4984   83.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6984  -78.8106   87.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1700  -81.5806   83.7636 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3790  -81.0379   83.9701 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.6461  -70.9848   85.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1652  -69.8808   85.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4317  -71.1093   84.4672 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.1955  -70.1915   84.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-7.15270

$$$$
NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   44.1337  -70.7643   96.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6996  -71.6912   95.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4234  -72.9851   95.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9665  -73.8834   94.3469 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7951  -75.0797   94.5680 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.6700  -73.2854   93.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9312  -71.9893   92.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5918  -71.1847   93.8143 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0975  -69.9873   93.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1242  -69.4993   92.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4445  -70.0814   91.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5159  -71.2826   91.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4876  -72.3091   90.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4443  -71.7130   88.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6147  -70.7248   88.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5321  -69.5438   89.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7636  -68.6035   89.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3681  -68.5379   87.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4746  -68.9396   86.7944 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5087  -70.1521   87.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6279  -71.2888   86.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6613  -70.8449   84.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6370  -69.6684   84.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4104  -69.2899   85.6003 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2543  -70.4432   84.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6825  -67.6658   86.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2597  -68.6662   89.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9342  -71.5459   88.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.0696  -70.7797   91.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5452  -73.5513   96.7014 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.3133  -74.4960   96.5734 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.1644  -72.0559   83.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9079  -73.2279   84.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.8957  -71.7433   82.6862 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.0987  -72.6133   82.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-7.10608

$$$$
NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   45.7475  -71.3960   84.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6769  -71.6143   85.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7408  -71.0107   86.8549 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6606  -71.2114   87.8611 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7703  -70.7199   88.9817 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4504  -71.9495   87.4505 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3641  -72.5529   86.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5456  -72.5188   85.3641 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5626  -73.3397   84.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5429  -74.3222   84.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3659  -74.3594   84.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.0582  -73.2334   85.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2194  -73.7699   86.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1080  -74.7548   86.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6280  -75.9846   85.7420 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2973  -75.4707   84.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8906  -76.7106   83.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2318  -78.0793   83.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7664  -78.1102   84.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4181  -76.9686   85.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7588  -77.5282   86.6998 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6522  -78.5877   86.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0690  -79.6780   85.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.5082  -79.5088   85.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3418  -77.9280   86.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8704  -78.0259   83.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2875  -74.7974   83.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6724  -76.6980   86.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2702  -72.0874   85.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7899  -70.1865   87.2247 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.5861  -69.9216   88.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.4488  -79.2478   87.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4778  -79.9010   88.2207 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4977  -79.1290   88.7059 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.2208  -79.6297   89.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-6.81826

$$$$
NP022


 35 39  0  0  0  0  0  0  0  0999 V2000
   31.5339  -69.5945   84.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0338  -69.6769   84.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7926  -68.5654   84.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2717  -68.6590   84.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9598  -67.6445   84.8077 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8612  -69.9758   85.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1158  -71.0989   85.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6918  -70.9954   84.8389 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0197  -72.1330   84.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6407  -73.4318   84.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8925  -73.6638   85.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6689  -72.4914   85.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1874  -72.5833   85.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7883  -73.9888   85.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0635  -74.9959   84.4801 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5486  -75.0850   84.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8140  -76.0358   83.9050 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6343  -77.1346   83.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9409  -77.6018   83.8919 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7487  -76.4333   84.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2374  -76.3905   84.1277 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9747  -77.7467   84.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1322  -78.8342   83.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8180  -78.2895   82.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3476  -78.2267   85.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5458  -78.7106   84.9102 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3501  -75.6931   86.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2079  -74.4266   83.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4604  -72.5188   87.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2608  -67.2947   84.5992 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0387  -66.6967   84.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.2435  -77.5036   83.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.1366  -76.7130   83.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3750  -78.3126   82.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.2395  -78.0549   81.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 22 25  1  0  0  0
 22 32  1  0  0  0
 32 33  2  0  0  0
 32 34  1  0  0  0
 19 26  1  0  0  0
 16 27  1  0  0  0
 15 28  1  0  0  0
 12 29  1  0  0  0
  3 30  1  0  0  0
  8  2  1  0  0  0
 12  7  1  0  0  0
 16 11  1  0  0  0
 20 15  1  0  0  0
 24 19  1  0  0  0
 34 35  1  0  0  0
 30 31  1  0  0  0
M  END
> <minimizedAffinity>
-6.78835

$$$$
