NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   41.9783  -73.8778   86.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8280  -73.5032   84.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5713  -72.2037   85.1528 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3067  -72.0110   86.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8563  -72.5282   86.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6386  -72.6394   88.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8753  -71.2964   89.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2798  -70.6743   88.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5725  -70.6274   87.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0281  -70.2155   87.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3767  -68.9358   87.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6681  -68.4737   88.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5142  -69.2917   89.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8383  -69.6284   91.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3873  -70.6116   91.6147 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.6818  -68.7080   91.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3449  -67.7007   91.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3468  -67.4296   89.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7107  -66.1690   89.6137 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.2392  -68.4193   89.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3636  -67.9379   87.6096 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.7966  -71.5948   86.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4803  -66.1218   88.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.7601  -74.7976   85.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6010  -76.0430   86.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1219  -76.5863   83.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2099  -75.5493   83.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0026  -74.2218   83.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1601  -73.3080   83.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0045  -72.1545   82.9042 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.3994  -73.8019   83.5164 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.6188  -75.0637   84.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6039  -76.1004   83.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6709  -73.5220   83.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5465  -72.7182   82.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6498  -72.3428   82.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-9.42412

$$$$
NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   42.7820  -72.2819   89.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0858  -72.9222   90.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2363  -74.0888   89.8816 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6509  -74.2178   88.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8979  -72.7523   87.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6019  -72.8359   86.6145 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7694  -73.6239   85.5898 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3869  -75.0629   86.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7481  -75.0255   87.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5685  -76.4500   88.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7943  -77.3121   87.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7840  -77.0649   85.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5385  -75.8706   84.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5347  -76.3787   83.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5633  -75.7784   83.5802 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.2332  -77.6156   83.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2323  -78.4232   83.4913 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3685  -78.2014   84.6786 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0540  -77.9674   84.1855 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5238  -74.9655   84.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6859  -76.6713   86.4630 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.5969  -71.9299   87.8558 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5609  -77.5689   84.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.2092  -70.7970   89.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5059  -70.3580   88.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1768  -67.1557   91.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9446  -68.0137   91.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7090  -67.5586   90.8991 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5410  -68.4740   90.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3927  -68.0437   90.9880 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.7843  -69.7983   91.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0955  -70.3721   90.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1744  -69.4690   91.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3439  -66.1535   90.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5993  -66.1471   89.2871 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3520  -65.2213   89.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-8.30067

$$$$
NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   40.7437  -76.6736   85.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3294  -76.4357   83.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0465  -75.0777   83.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0457  -74.7024   85.1549 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6857  -75.2403   85.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7537  -75.1608   87.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.0373  -73.7296   87.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3319  -73.0995   87.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3385  -73.2420   85.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6985  -72.8162   84.9729 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0873  -71.4498   85.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5930  -70.8529   86.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6192  -71.6231   87.6162 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2259  -71.7529   89.0415 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9468  -72.6662   89.8184 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.1456  -70.7081   89.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6344  -69.7616   88.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3556  -69.6827   87.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6258  -68.4787   87.0806 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3205  -70.7999   87.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.0235  -70.5040   85.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.4782  -74.4329   85.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2250  -68.5629   86.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.5412  -77.6698   85.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6999  -78.8982   85.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9812  -80.3184   84.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7271  -79.0489   83.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1815  -77.8137   83.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9788  -76.6489   83.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4467  -75.5736   83.0628 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.3085  -76.8237   83.1373 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.0128  -77.9845   83.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1755  -79.2434   83.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7771  -77.4588   84.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0640  -76.8814   83.0986 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1568  -76.7291   83.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-8.27899

$$$$
NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   42.1673  -72.8153   84.3852 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3804  -73.7394   84.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8279  -75.1680   83.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3159  -74.9819   83.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1018  -73.8006   84.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6362  -73.3720   84.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6677  -74.5360   85.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.9296  -75.7968   84.1760 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4322  -76.2090   84.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7304  -77.3116   83.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8324  -78.4827   83.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4370  -78.3458   83.9523 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9076  -76.9868   84.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5825  -76.6343   83.7218 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1901  -75.4809   83.5445 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.6881  -77.7183   83.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0820  -78.9937   83.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4341  -79.4458   83.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2544  -80.2452   84.8329 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5580  -77.1106   85.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5611  -78.8546   84.7261 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.3833  -74.1782   86.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.1367  -80.3148   85.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.5687  -71.4785   85.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0434  -70.1944   84.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8251  -67.8616   86.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6037  -69.3458   86.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2625  -69.9996   87.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2193  -71.4858   87.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1760  -72.1139   88.9654 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.2731  -72.1288   86.7238 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0847  -71.4414   85.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8069  -70.0953   85.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9466  -69.3773   89.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8168  -69.8799   90.2476 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.5950  -69.3990   91.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-8.18422

$$$$
NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   45.0021  -69.5754   88.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3018  -68.2281   89.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7525  -68.3601   90.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3743  -69.8313   90.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8491  -70.1897   89.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7344  -71.7211   89.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8159  -72.2488   90.6165 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2341  -71.8036   92.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4466  -70.2590   92.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0590  -69.8515   93.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2621  -70.3324   94.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4043  -71.5776   94.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2815  -72.3720   93.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6853  -73.8540   93.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1361  -74.5861   92.5519 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4738  -74.4709   94.7636 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.1379  -73.7349   95.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9901  -72.2576   95.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6202  -71.9825   96.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.7995  -72.3882   92.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8521  -70.2321   94.4325 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4829  -69.5453   89.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4773  -71.0572   95.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.9568  -69.4518   87.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5966  -68.0691   86.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4114  -69.5535   82.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0819  -70.3136   83.9637 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2765  -70.9346   83.8600 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7688  -71.7823   84.9780 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.7029  -72.5617   84.8227 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.1251  -71.6999   86.1652 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.1860  -70.6376   86.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3052  -70.3567   85.2490 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.1993  -70.9078   82.6720 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.5722  -71.4899   81.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.1981  -71.3900   80.7932 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-8.05051

$$$$
NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   42.1383  -74.3968   84.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1926  -73.8018   83.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8336  -72.6036   84.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2995  -72.6961   86.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8505  -73.2184   85.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3636  -73.6153   87.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4395  -72.4370   88.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8555  -71.7960   88.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4202  -71.4604   86.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8877  -71.0296   87.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0832  -69.9063   87.9732 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1489  -69.6836   89.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9199  -70.5876   89.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9768  -71.2071   90.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4473  -72.2782   91.0926 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.6420  -70.4693   91.8951 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3767  -69.3806   91.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6377  -68.8346   90.3005 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0184  -67.5539   90.2531 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.6447  -69.7166   89.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0776  -68.9003   87.9186 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.9022  -72.1674   85.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9627  -67.3225   89.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.0196  -75.2186   84.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0797  -74.4229   83.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0869  -77.3541   83.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4767  -77.4551   83.8869 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3935  -78.3751   83.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6815  -78.4732   84.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4150  -79.4477   84.1264 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.0014  -77.4712   85.1045 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.2973  -76.2044   85.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7964  -76.4376   84.9449 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2460  -79.3957   82.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4697  -79.5494   81.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.3194  -80.2565   81.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-7.78946

$$$$
NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   41.9038  -71.4131   91.3387 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3932  -71.3657   90.9648 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3204  -71.0772   89.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7647  -71.1988   88.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5873  -70.6328   90.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0509  -71.0015   89.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5246  -70.4491   88.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6462  -70.8897   87.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.1394  -70.6108   87.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2640  -71.2343   86.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6507  -70.7868   85.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.0675  -70.3596   84.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1601  -70.3218   85.9286 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3680  -71.1982   85.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.1381  -71.7371   86.2885 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.6765  -71.3668   84.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8270  -70.9584   83.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5007  -70.3520   83.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5582  -69.0128   82.9101 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.6915  -68.8763   86.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9885  -69.4075   85.0656 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.4439  -69.1040   90.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8045  -68.5518   83.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.1799  -71.1285   92.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7171  -69.7641   93.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6890  -71.5557   97.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6963  -72.1149   95.7227 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3637  -73.3832   95.3996 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5543  -73.8656   94.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5176  -75.0612   93.7356 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.8137  -72.9459   93.0483 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.6318  -71.5251   93.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1281  -71.1424   94.6621 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8370  -74.4367   96.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6384  -75.6152   96.2743 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.2773  -76.2271   96.9380 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-7.72985

$$$$
NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   38.0539  -76.1147   83.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8959  -75.0741   83.5978 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5172  -73.7187   83.9678 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0175  -73.9827   83.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1438  -75.4315   84.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5930  -75.8606   84.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6044  -74.9043   84.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.4306  -73.4121   84.4508 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.9469  -72.9663   84.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7343  -71.5739   84.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6797  -70.5686   84.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0472  -70.9626   85.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4963  -72.4378   85.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8277  -72.6012   84.3382 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1723  -73.6513   83.7960 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.7863  -71.4735   84.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4517  -70.2503   84.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1086  -69.8871   85.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2856  -69.5268   86.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.8005  -72.8342   86.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9222  -70.6766   85.9708 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.8306  -75.5445   85.9962 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3941  -69.5486   86.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.5681  -77.5836   83.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8771  -78.5645   82.6842 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7650  -81.1472   83.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2731  -80.0341   84.3288 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8049  -80.2029   85.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1334  -79.0158   86.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3635  -79.1236   87.5912 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.1283  -77.8023   85.7931 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.1003  -77.6489   84.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1360  -78.6608   83.7355 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.0799  -81.5144   86.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4407  -81.5902   86.6640 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5331  -82.4317   87.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-7.65375

$$$$
NP021


 36 41  0  0  0  0  0  0  0  0999 V2000
   42.3594  -71.6847   85.0771 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2020  -72.9827   84.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2040  -74.1331   84.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8615  -73.4325   84.5375 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9571  -72.2188   85.4986 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7644  -71.3131   85.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4261  -72.0583   85.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3347  -73.3597   84.4356 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5783  -74.2659   84.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.5932  -75.4364   83.7019 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3318  -76.2166   83.7270 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0140  -75.5843   84.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9362  -74.1104   84.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9154  -73.3434   83.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9745  -72.1321   83.4734 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.7621  -74.0637   83.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6828  -75.3957   83.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7319  -76.2758   83.7071 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1464  -76.9241   84.8308 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3883  -74.0555   86.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7884  -76.4265   85.0258 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.9107  -72.6221   86.9882 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8928  -77.2824   85.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.1151  -70.5485   85.8364 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2771  -69.2260   85.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8350  -68.1081   88.5451 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1679  -69.4337   88.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3632  -70.0646   89.1828 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8823  -71.4411   88.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3795  -72.1384   89.7663 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0560  -71.9199   87.6382 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.4189  -71.0650   86.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4731  -70.0504   86.9654 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9046  -69.5347   90.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2228  -70.4506   91.5606 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.9505  -70.0237   92.3907 H   0  0  0  0  0  0  0  0  0  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 31  1  0  0  0
 31 32  1  0  0  0
 32 33  1  0  0  0
 32 24  1  0  0  0
 24 25  1  0  0  0
 24  1  1  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 13 20  1  0  0  0
 12 21  1  0  0  0
  5 22  1  0  0  0
 28 34  1  0  0  0
 34 35  1  0  0  0
 33 27  1  0  0  0
  5  1  1  0  0  0
  9  4  1  0  0  0
 13  8  1  0  0  0
 21 11  1  0  0  0
 18 12  1  0  0  0
 19 23  1  0  0  0
 35 36  1  0  0  0
M  END
> <minimizedAffinity>
-7.62807

$$$$
