B4OHQ3 -OEChem-04012114442D 43 45 0 0 0 0 0 0 0999 V2000 6.4221 -1.0150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 5.5992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3635 3.4857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 -5.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -4.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9623 2.4676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 1.6586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2311 -2.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2311 -1.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3651 -3.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0401 -1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0971 -3.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 4.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3651 -4.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7311 -0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 4.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7311 -0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 4.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0971 -4.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2311 -4.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 5.8082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 5.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 4.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 5.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 3.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1433 0.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4991 -4.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8281 -2.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6298 -1.2066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 -2.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 3.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 0.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6341 -4.4128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2311 -5.2228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2412 6.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 5.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6471 4.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3753 4.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8524 6.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 0.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 2.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9621 -5.9128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 23 1 0 0 0 0 2 42 1 0 0 0 0 3 25 2 0 0 0 0 4 27 1 0 0 0 0 4 43 1 0 0 0 0 5 27 2 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 41 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 2 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 19 2 0 0 0 0 12 30 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 14 20 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 22 2 0 0 0 0 16 25 1 0 0 0 0 17 32 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 24 2 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$