BH3W6Z -OEChem-04012118472D 42 44 0 0 0 0 0 0 0999 V2000 6.2619 0.2121 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 3.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 1.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.0169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -3.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 2.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 2.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -1.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -0.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -2.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -0.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -1.5199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -0.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7249 -3.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5719 -3.7889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -2.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 3.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 17 1 0 0 0 0 3 42 1 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$