BAH96I -OEChem-04012119122D 39 41 0 0 0 0 0 0 0999 V2000 4.6783 -2.0359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -2.9062 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.2312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9639 2.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3497 -1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3007 -2.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.6235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.3138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 1.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0143 2.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 3.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 3.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 2.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1581 -0.6985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -1.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -2.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$