B85PNA -OEChem-04022114183D 26 27 0 0 0 0 0 0 0999 V2000 -0.9333 1.4449 0.4737 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 1.0335 0.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2315 -2.1781 -0.4012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 0.0981 0.1084 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1341 -0.7949 0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4568 0.1593 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6718 -1.0704 -0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3493 0.4869 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -1.8789 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 -0.9641 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0864 1.3439 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6115 -0.9027 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 1.4054 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 0.2821 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 1.5351 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0819 -2.2634 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1548 -1.5335 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 -2.7060 0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7801 -1.8918 0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5299 2.2347 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 -1.7734 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9694 2.3264 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3251 0.3305 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1215 1.9344 -0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2299 0.7433 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5121 2.3514 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 14 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 M END $$$$