NP011


 41 44  0  0  0  0  0  0  0  0999 V2000
   42.5113  -69.8132   87.5640 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9807  -71.2620   87.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3607  -71.3213   86.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3368  -70.6059   87.5561 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.9573  -69.3584   87.9802 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.9929  -68.5335   88.4250 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7020  -67.2474   88.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3960  -66.7743   88.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3687  -67.6114   88.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6297  -68.9156   88.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.0750  -67.1697   88.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.6834  -66.4065   89.3032 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.0628  -66.2426   88.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.5352  -66.8715   89.2564 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.5113  -70.9201   85.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4656  -70.3753   84.5224 C   0  0  0  0  0  0  0  0  0  0  0  0
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   47.1144  -71.0637   82.6570 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.0477  -69.9814   81.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.6324  -69.5320   82.4605 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.7430  -71.4337   83.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   45.9752  -70.2305   81.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
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   41.6191  -73.5598   88.4967 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.6970  -74.2956   86.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
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   41.6883  -76.1368   84.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5015  -75.0127   84.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5143  -74.0869   85.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2734  -74.8611   82.9461 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.6700  -77.0546   83.1269 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.0900  -77.4513   85.3261 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.7818  -74.0350   83.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.3015  -76.6997   82.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.2498  -77.9290   84.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
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 17 23  1  0  0  0
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 10  1  1  0  0  0
 10  5  1  0  0  0
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 36 39  1  0  0  0
 37 40  1  0  0  0
 38 41  1  0  0  0
M  END
> <minimizedAffinity>
-11.79107

$$$$
NP011


 41 44  0  0  0  0  0  0  0  0999 V2000
   42.5250  -69.7378   87.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9437  -71.2056   87.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3434  -71.3414   86.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3178  -70.6312   87.5910 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.9707  -69.3554   87.9542 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0205  -68.5516   88.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.7628  -67.2397   88.7863 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.4758  -66.7201   88.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4333  -67.5358   88.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6603  -68.8645   87.9175 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.1576  -67.0481   88.2381 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.7593  -66.4183   89.2263 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.1699  -66.1106   88.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.5943  -66.9151   89.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.5590  -71.0032   85.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
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   45.9247  -70.7998   83.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
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   43.4808  -70.4456   84.5799 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6067  -69.5621   82.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.0178  -69.9272   81.2955 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.1304  -70.9677   82.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.8217  -69.5163   83.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.1391  -69.5878   81.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.9823  -70.6559   81.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.9127  -71.9734   86.7820 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.7058  -73.2211   87.2639 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5304  -73.5125   88.4362 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.7248  -74.2252   86.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5390  -74.0804   85.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.5027  -75.0535   84.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.6748  -76.1610   84.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8678  -76.3093   85.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8842  -75.3477   86.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0724  -77.4186   85.3600 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.6645  -77.1004   83.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.2900  -74.9114   82.9375 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.5716  -77.3871   86.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.0210  -77.7719   83.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.1084  -75.7068   82.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0
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 10  1  1  0  0  0
 10  5  1  0  0  0
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 36 39  1  0  0  0
 37 40  1  0  0  0
 38 41  1  0  0  0
M  END
> <minimizedAffinity>
-11.71121

$$$$
NP011


 41 44  0  0  0  0  0  0  0  0999 V2000
   41.7365  -70.9115   84.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5785  -71.4656   86.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4406  -72.7389   86.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.8387  -72.4053   86.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.1295  -71.6546   85.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4742  -71.6349   84.6750 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8602  -70.9059   83.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.9278  -70.1946   82.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.5922  -70.2070   83.2066 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1760  -70.9212   84.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.6579  -69.5093   82.4931 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.1617  -70.8642   83.1484 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0922  -69.1016   81.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.6978  -71.3896   83.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.1144  -74.0138   85.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.1296  -74.9364   85.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9093  -76.0927   85.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
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   42.6480  -75.4745   83.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8841  -74.3135   84.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.3684  -75.7848   82.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.4199  -77.5064   83.3708 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.9430  -76.9693   85.6135 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0030  -75.0643   82.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.0624  -77.4682   82.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.9696  -77.6860   84.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.1778  -71.6544   86.4536 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.3153  -71.1132   85.5621 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2021  -69.9239   85.3113 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.4930  -72.1661   84.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4000  -73.4691   85.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.6185  -74.4064   84.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9321  -74.0642   83.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0202  -72.7754   83.0912 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7979  -71.8195   83.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3241  -72.4950   81.9489 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.1712  -75.0124   82.9757 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.5313  -75.6748   85.2563 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.4786  -71.5625   81.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.7910  -74.5456   82.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.9292  -76.1428   84.6425 H   0  0  0  0  0  0  0  0  0  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
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 10  1  1  0  0  0
 10  5  1  0  0  0
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 36 39  1  0  0  0
 37 40  1  0  0  0
 38 41  1  0  0  0
M  END
> <minimizedAffinity>
-10.89361

$$$$
NP011


 41 44  0  0  0  0  0  0  0  0999 V2000
   42.8837  -69.9840   84.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.1012  -70.3517   85.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.7760  -71.7400   86.0562 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0777  -71.6944   85.4215 O   0  0  0  0  0  0  0  0  0  0  0  0
   45.1096  -71.1285   84.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.2537  -71.3995   83.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.3688  -70.8736   82.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3638  -70.0800   81.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.2350  -69.8016   82.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0973  -70.3063   83.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2362  -69.0177   81.8594 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.4660  -71.1180   81.3639 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.4603  -68.7790   80.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   48.0864  -71.6689   81.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.0351  -73.0044   85.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.9816  -73.5843   86.3372 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.3755  -74.7544   85.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8040  -75.3736   84.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.8509  -74.8303   83.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.4710  -73.6612   84.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2438  -75.4805   82.8617 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.1878  -76.5232   84.3132 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <minimizedAffinity>
-10.88197

$$$$
NP011


 41 44  0  0  0  0  0  0  0  0999 V2000
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 10  1  1  0  0  0
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M  END
> <minimizedAffinity>
-10.61286

$$$$
NP011


 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
> <minimizedAffinity>
-10.58922

$$$$
NP011


 41 44  0  0  0  0  0  0  0  0999 V2000
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M  END
> <minimizedAffinity>
-10.51367

$$$$
NP011


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> <minimizedAffinity>
-10.50844

$$$$
NP011


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M  END
> <minimizedAffinity>
-10.27508

$$$$
