mcule 29032412242D 21 21 0 0 0 0 0 0 0 0999 V2000 -2.8458 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 1.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9374 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -1.3667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 -1.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7626 1.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0209 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0209 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9459 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -0.8293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8209 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7374 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.8293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 3 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 15 1 0 0 0 0 12 7 2 0 0 0 0 13 11 2 0 0 0 0 14 2 2 0 0 0 0 15 8 1 0 0 0 0 16 9 2 0 0 0 0 17 7 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 14 16 1 0 0 0 0 M END > MCULE-1636849672 $$$$