B1XM3E -OEChem-04012118432D 27 28 0 0 0 0 0 0 0999 V2000 6.5856 -0.2361 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.4852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1079 2.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 1.4204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 2.9176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 12 2 0 0 0 0 9 11 2 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$