BHR9E2 -OEChem-04022100292D 48 50 0 1 0 0 0 0 0999 V2000 6.2731 2.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2429 5.1056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 2.3944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.3455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 3.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.1934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 4.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5519 4.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8609 5.1056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0519 5.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 1.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 2.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.1107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.8436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.6166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.7697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9163 3.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4506 5.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0519 6.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 11 2 0 0 0 0 3 13 2 0 0 0 0 4 24 1 0 0 0 0 4 27 1 0 0 0 0 8 5 1 1 0 0 0 5 13 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 17 2 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 15 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 24 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 M END $$$$