RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   41.9110  -72.2030   88.8543 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8816  -71.4252   88.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3906  -72.4944   87.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6461  -73.3226   86.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4406  -73.2551   88.0176 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.4082  -73.2993   87.7454 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.7833  -70.9060   88.7909 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.8196  -72.6612   88.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.1519  -70.3950   89.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.2139  -68.8446   91.5058 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0734  -69.7991   90.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8526  -70.3468   89.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1888  -71.2501   88.7189 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.9801  -71.3245   89.3272 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.8479  -70.4284   90.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7431  -70.1977   91.0904 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.9928  -69.2670   92.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1304  -68.5968   92.2800 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.6691  -68.8778   93.0418 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   45.4074  -68.1553   91.7106 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.7938  -68.3103   92.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.6481  -66.8196   90.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.5833  -67.0977   89.0971 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2478  -66.6993   89.7215 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4745  -66.7747   91.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.9051  -66.2459   91.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4592  -72.7749   85.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9300  -71.4342   85.7517 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.8576  -70.8602   84.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7597  -69.8793   83.6953 P   0  0  0  0  0  0  0  0  0  0  0  0
   43.4206  -69.2536   82.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.5133  -70.7956   83.2801 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.0381  -68.7488   84.5718 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.0317  -70.4664   82.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.5862  -68.0760   84.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.5657  -71.8931   83.8843 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3040  -71.6962   82.4908 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.4558  -70.7535   82.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.8169  -69.9374   85.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2525  -68.6474   86.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5784  -67.4615   85.4859 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.7792  -66.6606   86.2077 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.9879  -67.2724   87.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.2749  -68.5600   86.9741 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.7663  -65.6524   86.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-9.91020

$$$$
RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   41.7941  -72.5237   88.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5405  -72.8423   89.8799 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5357  -72.3926   90.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8833  -71.1752   90.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9043  -71.4162   88.8463 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.5599  -73.4303   91.1037 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.8506  -74.2276   90.0651 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.0761  -74.2616   91.1641 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.3132  -74.5412   89.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.0814  -72.7790   84.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8103  -72.2742   85.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2941  -71.2609   86.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6645  -71.2273   87.6164 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.7268  -72.1994   87.5052 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.8157  -72.8916   86.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0915  -73.9649   85.9600 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.4361  -74.3626   84.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3590  -73.8477   83.8905 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.5853  -75.7226   84.1275 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   45.0665  -72.2273   83.4875 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.9732  -72.6613   83.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.0627  -70.5149   81.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8384  -70.5455   81.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6271  -70.3342   81.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0875  -70.7707   83.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.5315  -70.2640   83.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6429  -69.8773   90.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0075  -69.0719   89.4665 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.1181  -68.1390   89.5273 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4383  -66.7550   90.5257 P   0  0  0  0  0  0  0  0  0  0  0  0
   41.5768  -67.1511   91.6852 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.6532  -65.8113   90.9720 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.6233  -65.7762   89.5538 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.4337  -65.2202   91.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.0814  -65.1244   90.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.5221  -67.5287   88.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1126  -66.2294   88.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.8155  -66.2572   88.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.2711  -68.8329   90.2750 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4251  -67.9772   90.6253 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7083  -67.5792   91.8738 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.8350  -66.8880   91.6418 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.2586  -66.8691   90.3714 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.3619  -67.5838   89.7075 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.3429  -66.4131   92.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-9.30509

$$$$
RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   45.2925  -70.4142   85.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.2191  -71.7470   85.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9545  -71.2826   83.7457 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0681  -70.0550   83.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4665  -69.4642   85.2027 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.1997  -70.8928   83.1469 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.4213  -72.5230   85.2096 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.8319  -71.6048   83.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.6844  -72.6147   86.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.6663  -69.4251   90.6277 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5416  -70.1727   89.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9673  -71.3919   89.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1740  -71.6514   87.7372 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.8476  -70.5611   87.2968 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.1392  -69.6733   88.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8724  -68.5509   88.2010 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.9258  -67.9193   89.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3796  -68.2754   90.5641 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.8270  -66.4658   89.4030 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   44.1029  -69.8472   91.8303 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.6015  -70.7241   91.7397 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.1427  -69.1830   91.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3913  -69.9979   93.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6950  -69.4709   93.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4414  -68.8340   92.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2966  -68.1893   91.8672 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5775  -70.4228   83.9977 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2725  -71.8120   84.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.4153  -72.3270   85.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8398  -72.6655   84.2740 P   0  0  0  0  0  0  0  0  0  0  0  0
   39.1953  -71.4839   83.6166 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0866  -73.8677   83.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.8136  -73.3407   85.3025 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.4033  -73.9347   82.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.9012  -73.3792   84.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.0757  -71.3052   86.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8140  -70.6565   86.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.1311  -71.3361   85.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.0416  -73.6356   85.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3743  -74.6443   84.6417 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7019  -75.7921   84.4759 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.3654  -76.2939   83.4227 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.3499  -75.5291   82.9330 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.3542  -74.4521   83.7049 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.1338  -77.1945   83.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-8.91519

$$$$
RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   41.0191  -73.6526   86.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.3244  -73.0377   85.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9355  -73.8400   84.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3669  -74.0754   84.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3093  -74.1419   86.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.2442  -75.0940   84.1003 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.9003  -73.1833   85.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.2918  -74.8688   84.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.5585  -72.8500   86.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.4794  -71.6563   90.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7813  -71.7199   89.5205 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8965  -70.9141   88.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4917  -71.4956   87.6414 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.1634  -72.6726   87.6291 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.9064  -72.8732   88.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6033  -73.9766   89.0901 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.2274  -73.8039   90.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2120  -72.7392   91.0904 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.1597  -75.1345   90.8048 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   42.4135  -70.5393   91.5664 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.7336  -69.8568   91.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.8332  -68.0327   90.6057 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1921  -67.6072   91.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4509  -68.7450   92.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6799  -69.9817   92.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4667  -69.3960   90.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3104  -72.9401   84.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6250  -71.9718   85.2551 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0870  -70.6400   84.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5346  -69.7740   84.4447 P   0  0  0  0  0  0  0  0  0  0  0  0
   41.9721  -70.1214   83.1006 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.4671  -69.9902   85.6191 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.7841  -68.1941   84.5363 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.5499  -69.8066   85.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.0700  -67.6702   84.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   45.0022  -70.5804   83.6611 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5426  -69.6631   82.6628 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.3416  -68.8034   83.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.7015  -70.0138   86.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1984  -68.6734   86.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7849  -67.5266   86.1720 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.9309  -66.6474   86.7189 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.8756  -67.1741   87.3534 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.0305  -68.4845   87.2326 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.0684  -65.6432   86.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-8.78773

$$$$
RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   40.6286  -76.1657   86.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.4785  -75.4731   87.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0662  -75.8705   88.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.3348  -75.8885   86.7214 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3152  -76.2666   85.7277 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.0938  -77.1931   88.6198 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.4012  -75.9147   88.6776 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.8515  -77.1945   89.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.3043  -75.8491   88.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.5685  -72.6299   84.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8728  -73.8463   84.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6991  -74.9022   83.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8681  -75.8494   84.2048 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.5395  -75.4250   85.4492 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.0762  -74.1975   85.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8582  -73.4745   86.8642 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.5714  -72.3327   86.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3940  -71.8795   85.8641 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.3924  -71.3135   88.1866 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   44.3922  -72.1883   83.7166 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.1627  -72.8220   83.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.7659  -70.8572   82.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.5963  -70.5506   81.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4312  -70.1412   82.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7372  -70.7668   83.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.2556  -70.5958   83.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7468  -74.5143   86.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.4638  -74.2841   84.9883 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.1461  -73.2499   84.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.7966  -72.5235   83.2189 P   0  0  0  0  0  0  0  0  0  0  0  0
   35.7164  -73.4719   82.7979 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.2121  -71.2508   83.9963 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.4436  -71.8305   81.9274 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3353  -70.9707   83.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.7833  -71.5871   81.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.2019  -73.7754   83.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3411  -75.2000   83.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.4515  -75.6073   83.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.6879  -72.2165   85.2359 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7782  -71.3457   84.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2983  -70.3314   85.4518 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.2443  -69.9193   84.5937 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.3489  -70.6206   83.4573 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.4150  -71.5557   83.5524 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.8511  -69.1294   84.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-8.75632

$$$$
RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   43.3073  -69.7359   92.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0451  -70.3259   93.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3307  -70.1374   94.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8395  -70.3553   94.7706 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3917  -69.9055   93.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.0110  -68.7859   95.0449 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.8315  -69.6535   92.8500 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.1419  -68.6057   94.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.7920  -69.5997   91.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   45.1602  -70.4213   88.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4155  -70.7491   89.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6128  -71.8129   89.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.0966  -71.5893   90.9492 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.6135  -70.3864   91.2991 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.3664  -69.8198   90.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9299  -68.5990   90.3088 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.6135  -68.3932   89.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7627  -69.2084   88.1093 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.3895  -66.8741   89.0448 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   45.2662  -71.2898   87.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.2240  -71.4106   86.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   45.6427  -70.0535   84.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.6682  -71.5567   84.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5298  -72.1555   84.8553 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2778  -71.1501   85.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4759  -69.8165   85.2547 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.1964  -71.8333   94.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2006  -72.6618   93.8292 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0595  -74.1038   93.9205 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2498  -74.3528   93.7265 P   0  0  0  0  0  0  0  0  0  0  0  0
   41.4160  -74.0283   94.9278 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.7679  -73.5540   92.4245 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.9879  -75.8684   93.2778 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.8065  -73.4031   92.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.0501  -76.1271   93.3346 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.4313  -74.7014   95.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3725  -75.4596   95.8933 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0239  -76.0928   95.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.8231  -74.7242   92.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0303  -75.5859   91.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2846  -75.1207   90.8209 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.8312  -76.2808   90.3211 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.2684  -77.3908   90.9299 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.0574  -76.9532   91.9003 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.2010  -76.3199   89.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-8.64169

$$$$
RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   43.6562  -72.2064   84.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0299  -70.7666   84.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3609  -70.6171   84.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1695  -71.4495   86.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2612  -72.5193   85.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.3897  -71.1991   84.0516 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.1951  -70.5207   82.7535 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.2155  -70.8717   83.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.3892  -70.8397   82.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.3074  -74.3665   84.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.2023  -73.2971   84.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1476  -71.9121   84.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3548  -71.3382   84.7620 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.2048  -72.3751   84.5651 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.5524  -73.5617   84.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.1132  -74.7414   84.0167 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.1647  -75.6890   83.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8324  -75.5784   84.0239 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.7406  -77.2486   83.4888 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   37.9297  -74.1989   84.4487 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.5166  -74.8432   85.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9244  -73.8925   84.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4540  -72.4671   83.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.6798  -72.5568   83.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1651  -74.0011   83.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8433  -74.7687   83.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5727  -70.6226   87.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4533  -69.7006   87.9206 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.9558  -68.5276   88.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2004  -67.5380   87.2656 P   0  0  0  0  0  0  0  0  0  0  0  0
   42.8719  -68.0207   86.7701 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.1499  -66.0060   87.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.2382  -67.4604   86.0475 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.5330  -65.4620   87.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.8406  -67.1129   85.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.0549  -67.6351   89.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.5921  -66.6724   88.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.8521  -66.1997   87.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.8802  -68.9963   89.6130 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8816  -67.9821   90.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1982  -66.7771   90.5093 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.9677  -66.2626   90.6591 N   0  0  0  0  0  0  0  0  0  0  0  0
   40.9545  -67.0459   90.2671 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.5355  -68.1552   89.8338 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.8101  -65.3338   91.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-8.53459

$$$$
RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   44.4998  -68.9596   87.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4214  -68.0203   87.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2008  -67.2339   88.9426 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1732  -68.2703   89.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4610  -69.1846   88.4188 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.9298  -66.1897   88.2796 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.8636  -67.1288   86.9341 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.2912  -65.7868   87.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.5667  -67.6659   86.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.6870  -72.8684   84.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4957  -72.0088   85.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6713  -71.9293   86.8275 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8986  -70.8338   87.5591 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.9185  -70.2221   86.9095 N   0  0  0  0  0  0  0  0  0  0  0  0
   44.2708  -70.8645   85.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1769  -70.4547   84.8429 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.2750  -71.3513   83.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.6066  -72.5039   83.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.4012  -70.9573   82.6175 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   42.9519  -74.0425   84.4423 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.1583  -74.5225   83.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.7597  -76.0010   83.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.0858  -76.3616   85.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2071  -75.0376   85.8801 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5361  -73.9985   84.8080 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6779  -74.4781   83.6351 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.5722  -69.0458   90.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2799  -69.6125   90.4766 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.2973  -69.6820   91.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7451  -69.1677   90.7060 P   0  0  0  0  0  0  0  0  0  0  0  0
   39.4757  -69.4981   91.4293 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.8526  -67.6077   90.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.7175  -69.8127   89.2397 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.9932  -67.1921   90.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.8477  -69.7394   88.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.5222  -68.6707   92.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3904  -67.8293   92.9385 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.5880  -68.3880   93.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.2071  -71.1490   92.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4796  -72.1695   90.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5680  -72.5985   90.0815 N   0  0  0  0  0  0  0  0  0  0  0  0
   42.3219  -73.4559   89.3760 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.6058  -73.5474   89.7463 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.7225  -72.7075   90.7645 N   0  0  0  0  0  0  0  0  0  0  0  0
   41.9479  -73.9985   88.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-8.31297

$$$$
RF019


 45 49  0  0  0  0  0  0  0  0999 V2000
   38.5497  -72.5869   83.8914 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6076  -72.2295   85.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.6297  -71.1085   85.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.6078  -71.5341   84.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8343  -72.2719   83.3102 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.9768  -69.8873   84.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.3710  -71.7632   85.9275 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.1448  -69.8685   85.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.6789  -72.4222   85.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.9072  -76.5935   83.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0753  -75.8547   83.3743 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4505  -76.0990   83.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1506  -74.9837   83.7967 N   0  0  0  0  0  0  0  0  0  0  0  0
   38.2235  -73.9998   83.7020 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.9531  -74.4829   83.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8158  -73.7669   83.4639 N   0  0  0  0  0  0  0  0  0  0  0  0
   34.7646  -74.5753   83.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7409  -75.9082   83.0611 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.2464  -73.7924   83.1455 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   35.9278  -77.9794   82.9889 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.1822  -78.3214   82.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.9407  -79.6285   84.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7174  -80.6694   83.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1882  -80.2693   83.8778 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1759  -78.7733   84.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9833  -78.6648   85.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.7315  -72.4269   84.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6707  -71.7986   85.7024 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.8610  -71.1413   85.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9370  -71.0325   86.6784 P   0  0  0  0  0  0  0  0  0  0  0  0
   45.2725  -69.6471   87.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.2781  -71.9119   87.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.2847  -71.8507   86.3937 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.6205  -71.7010   88.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.9791  -71.6863   87.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.6386  -69.6863   84.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9230  -68.8815   85.6583 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.3353  -68.9844   86.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.4888  -72.0654   84.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4733  -71.4374   83.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.7195  -71.1046   83.5924 N   0  0  0  0  0  0  0  0  0  0  0  0
   47.1795  -70.6303   82.4242 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.3248  -70.6827   81.3943 N   0  0  0  0  0  0  0  0  0  0  0  0
   45.2227  -71.2176   81.8992 N   0  0  0  0  0  0  0  0  0  0  0  0
   48.1198  -70.2603   82.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 20  1  0  0  0
 20 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 19  1  0  0  0
 14  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
  4 27  1  0  0  0
 27 28  1  0  0  0
 29 28  1  0  0  0
 29 39  1  0  0  0
 39 40  1  0  0  0
 40 41  2  0  0  0
 41 42  1  0  0  0
 42 43  1  0  0  0
 43 44  2  0  0  0
 29 36  1  0  0  0
 36 37  1  0  0  0
 29 30  1  0  0  0
 30 31  2  0  0  0
 30 32  1  0  0  0
 30 33  1  0  0  0
  3  6  1  0  0  0
  2  7  1  0  0  0
 26 22  1  0  0  0
 18 10  1  0  0  0
 15 11  1  0  0  0
  5  1  1  0  0  0
 44 40  1  0  0  0
 20 21  1  0  0  0
 42 45  1  0  0  0
 37 38  1  0  0  0
 32 34  1  0  0  0
 33 35  1  0  0  0
  6  8  1  0  0  0
  7  9  1  0  0  0
M  END
> <minimizedAffinity>
-8.28709

$$$$
