B9PV5E -OEChem-04022106252D 28 31 0 0 0 0 0 0 0999 V2000 2.9639 0.1633 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7003 2.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3684 0.2117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 1.2117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -0.2491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7116 2.6835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1055 1.8788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 -0.9934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6067 -1.5315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2932 -1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3045 -1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5024 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6364 0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 -0.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9140 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8680 -2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5024 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3684 1.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4993 -3.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 -3.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2745 -0.7872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5298 -2.0175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 -2.3592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8652 -3.5382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2146 -3.7102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2976 3.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7993 -2.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 12 2 0 0 0 0 3 18 1 0 0 0 0 4 13 1 0 0 0 0 4 17 2 0 0 0 0 5 8 2 0 0 0 0 5 14 1 0 0 0 0 6 17 1 0 0 0 0 6 26 1 0 0 0 0 7 18 2 0 0 0 0 8 21 1 0 0 0 0 9 21 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 14 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 19 1 0 0 0 0 15 22 1 0 0 0 0 16 20 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 M END $$$$