B2JD5A -OEChem-04022108573D 31 31 0 1 0 0 0 0 0999 V2000 1.5898 0.0207 -0.3951 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4662 -2.3562 -0.9839 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3705 -1.8525 1.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 0.5426 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 0.3965 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7952 -0.3515 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8996 -1.0551 -0.8916 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9688 -0.1086 -0.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3028 -1.1115 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1096 1.2314 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9664 -0.5858 0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9329 1.2196 -0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 0.2884 0.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9207 2.0937 -0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9312 1.6282 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 1.5915 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 0.2870 1.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 -0.6555 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2481 0.7135 -1.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0939 -1.4022 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3093 -0.2166 1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -0.7831 -1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6714 1.1138 -1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7560 0.9212 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8767 2.2938 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9997 -1.6199 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 1.5930 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7389 -0.0730 1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9034 3.1368 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6999 2.3090 0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8117 -2.9302 -1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 7 1 0 0 0 0 2 31 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 10 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 M END $$$$