BB21QO -OEChem-04022115223D 28 29 0 1 0 0 0 0 0999 V2000 -0.9254 2.1970 0.2498 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 1.5707 -0.8752 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 -0.2518 0.2348 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2211 -0.6018 0.1047 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5588 1.1325 0.3807 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2346 -0.4021 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 0.7821 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2769 0.8542 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8866 -1.6239 0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3618 0.7747 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 -1.6473 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0117 -0.4542 -0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 -1.3312 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 -0.9991 1.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9764 1.2896 1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.0324 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3743 1.3702 0.8695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1543 1.1419 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -2.5557 0.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9334 1.6971 -0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 -2.5983 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0932 -0.4873 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 -1.1132 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4674 -2.4117 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -1.0859 -1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0892 -2.0799 1.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 -0.7358 0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -0.5204 2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 10 2 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END $$$$