BO28EG -OEChem-04022110082D 45 48 0 1 0 0 0 0 0999 V2000 6.8066 2.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2686 2.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 4.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5312 3.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.1623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.4472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 2.9228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8550 2.1128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8578 3.7308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8083 3.4202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6183 4.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 2.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2926 1.6736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2456 3.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 3.1377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9659 4.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1731 4.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 3.4620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 5.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 0.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0334 3.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.5598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 10 2 1 6 0 0 0 2 33 1 0 0 0 0 12 3 1 6 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 36 1 0 0 0 0 11 5 1 1 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 19 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 37 1 0 0 0 0 9 18 1 0 0 0 0 9 19 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 1 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 26 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$