mcule 28032423302D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.2070 1.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0355 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6486 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 -0.9310 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 -0.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 -1.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2955 -1.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 -1.3435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 -1.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8680 -0.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -0.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 0.3065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 1.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 1.5440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -0.1060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -0.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 -1.6454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3159 -0.8540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4875 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -0.2409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4556 0.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2509 0.5991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1294 0.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 12 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 16 19 2 0 0 0 0 10 19 1 0 0 0 0 8 20 2 0 0 0 0 5 21 2 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 3 25 1 0 0 0 0 2 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > P-524163649 $$$$