NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   31.1026  -25.9897   -2.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4536  -24.7793   -1.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7531  -24.2573   -1.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0741  -23.1071   -1.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0973  -22.4656   -0.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7948  -22.9794   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4736  -24.1224   -1.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7724  -22.4108    0.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.4439  -21.2573    0.3814 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5846  -20.6876    1.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.8200  -20.7285    0.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7931  -21.3739   -0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4548  -22.5837   -1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3097  -23.1486   -1.8605 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.1023  -20.8773   -0.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.4267  -19.7382    0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4686  -19.0834    1.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1672  -19.5810    1.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2760  -18.8864    1.8511 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.7116  -19.2897    0.2166 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1215  -21.6217    0.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4005  -19.3301    1.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.7995  -18.4936    0.7680 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-9.50505

$$$$
NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   31.0968  -26.9892   -2.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1033  -25.7516   -2.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2685  -24.9850   -2.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2668  -23.8107   -1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0996  -23.3895   -0.5982 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9313  -24.1484   -0.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9307  -25.3158   -1.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7398  -23.8065   -0.1585 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1074  -22.1539    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0791  -21.7781    0.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3463  -21.3655    0.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5111  -21.7912   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5123  -23.0265   -1.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5354  -23.3984   -1.6690 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6917  -21.0474   -0.1766 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6964  -19.8831    0.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5441  -19.4453    1.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3717  -20.1885    1.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2756  -19.6988    1.7611 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8662  -19.1906    0.6758 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8683  -22.9748    0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.5178  -20.3038    1.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.7294  -18.4050    1.2322 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-9.46366

$$$$
NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   34.0474  -17.7501    2.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9018  -19.0103    1.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6712  -19.6768    1.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5261  -20.8379    0.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6055  -21.3341   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8315  -20.6590    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9779  -19.5050    0.7763 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9411  -21.0706   -0.6807 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4435  -22.5546   -0.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3936  -22.9958   -1.4956 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1434  -23.2493   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0662  -22.7471   -0.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2188  -21.5247    0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2717  -21.0836    1.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.8281  -23.4012   -0.1945 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6786  -24.5531   -0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7421  -25.0663   -1.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9722  -24.4121   -1.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9747  -24.9726   -2.4019 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4574  -25.1572   -0.9634 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.7138  -21.8869   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.7850  -24.4258   -2.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4923  -25.9442   -1.5335 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-9.29608

$$$$
NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   34.2675  -19.4115    1.1808 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1904  -20.3752    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4966  -21.4960   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4955  -22.4143   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1857  -22.2245    0.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8832  -21.1117    0.8749 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8764  -20.1978    1.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6271  -20.8506    1.3531 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.1406  -23.1949   -0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9831  -23.0315    0.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4792  -24.3632   -1.1266 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7923  -24.5487   -1.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8457  -23.5829   -1.1887 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9988  -23.7478   -1.5678 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1218  -25.6563   -2.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1336  -26.5692   -2.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8205  -26.3988   -2.2801 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4973  -25.2953   -1.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1859  -25.1905   -1.1120 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4979  -27.6318   -3.4742 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0217  -21.5580    1.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0838  -24.3800   -0.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.7169  -28.1855   -3.6445 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-9.03383

$$$$
NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   32.2911  -24.0244   -1.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8464  -22.8077   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7857  -21.8804   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3686  -20.7267    0.6394 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0115  -20.4870    0.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0723  -21.4071    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4845  -22.5543   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7209  -21.2489    0.5169 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5827  -19.2717    1.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3856  -19.0560    1.7476 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5862  -18.3121    2.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9431  -18.5565    1.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3817  -19.7702    1.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5734  -19.9829    0.9431 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9023  -17.6494    2.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4949  -16.5046    2.9920 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1467  -16.2464    3.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1959  -17.1518    2.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8876  -16.8341    2.9943 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.4610  -15.6496    3.4299 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.5587  -20.4125    1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3174  -17.5418    2.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.0412  -14.8980    3.8821 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-9.00904

$$$$
NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   29.6326  -25.0750   -1.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6844  -24.0739   -1.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3642  -22.9802   -0.3142 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3539  -22.0609    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6705  -22.2339   -0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9929  -23.3355   -1.1598 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0109  -24.2504   -1.5380 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2595  -23.5873   -1.6145 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.7038  -21.2629    0.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8675  -21.4120   -0.3245 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3461  -20.1113    0.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0269  -19.9442    1.3163 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9858  -20.9123    0.9179 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8280  -20.7655    1.2900 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.6794  -18.8530    2.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.6560  -17.9379    2.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9750  -18.0902    2.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3161  -19.1775    1.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.6324  -19.2650    0.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2743  -16.8916    3.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8547  -22.8781   -1.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.7476  -20.0660    0.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0486  -16.3344    3.4741 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-8.95242

$$$$
NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   31.1013  -16.4839    3.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1701  -17.7304    2.8141 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3830  -18.1377    2.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4546  -19.3199    1.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3187  -20.1072    1.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1098  -19.7071    1.8956 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0362  -18.5326    2.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9478  -20.4215    1.7779 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4038  -21.3479    0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4035  -22.0462    0.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6868  -21.7553   -0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.8208  -20.9639    0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7453  -19.7206    0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7421  -19.0274    1.0572 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.0431  -21.3445   -0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1200  -22.5147   -1.2135 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9992  -23.3142   -1.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7852  -22.9317   -0.8381 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7238  -23.7659   -1.0677 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.3283  -22.8470   -1.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.1266  -21.2185    1.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9316  -23.3932   -0.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.2408  -23.6802   -2.2418 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-8.84950

$$$$
NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   36.6805  -22.3815   -1.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3174  -22.1225   -1.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0749  -20.9761   -0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7930  -20.7174    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7438  -21.5959   -0.0273 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9835  -22.7341   -0.8068 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2567  -22.9933   -1.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0120  -23.6461   -1.1212 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.4000  -21.3155    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4708  -22.0881    0.2797 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1659  -20.1093    1.3259 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2195  -19.2328    1.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5682  -19.5048    1.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4923  -18.7335    1.2768 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.0048  -18.0848    2.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7365  -17.8237    2.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6760  -18.6870    2.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8943  -19.8280    1.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8056  -20.6329    1.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5723  -16.6960    3.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1684  -23.3565   -0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0830  -21.3976    1.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.6457  -16.6365    3.9016 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-8.77718

$$$$
NP016


 23 25  0  0  0  0  0  0  0  0999 V2000
   33.7763  -16.5136    3.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9351  -17.6026    2.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5260  -18.6204    1.8547 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7441  -19.6562    1.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3701  -19.6874    1.5518 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7822  -18.6777    2.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5572  -17.6473    2.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4433  -18.6329    2.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.5568  -20.7801    0.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3434  -20.8118    1.1891 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1944  -21.8371    0.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5704  -21.8013   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3930  -20.7118    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6015  -20.6825    0.3194 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1834  -22.8021   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4134  -23.8307   -1.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0411  -23.8807   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4355  -22.8829   -0.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0817  -22.9952   -0.1918 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0503  -24.7830   -2.0794 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0093  -19.4039    2.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7736  -22.2404    0.3578 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.3994  -25.4362   -2.3880 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
  5  6  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  5  9  1  0  0  0
  9 10  2  0  0  0
  9 11  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 12 15  2  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 16 20  1  0  0  0
  7  2  1  0  0  0
 13  4  1  0  0  0
 18 11  2  0  0  0
  8 21  1  0  0  0
 19 22  1  0  0  0
 20 23  1  0  0  0
M  END
> <minimizedAffinity>
-8.69527

$$$$
