B2OHL3 -OEChem-04012120182D 58 59 0 1 0 0 0 0 0999 V2000 5.4641 0.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5661 0.9270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -1.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5876 3.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4897 3.2945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9545 1.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -2.9614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1013 2.5742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 2.2141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0981 3.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 2.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0570 -2.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -1.3737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 1.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -2.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0524 2.2652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3692 -3.3216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 1.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 2.9343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 2.6253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 1.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 3.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0333 3.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 3.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 3.2941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 2.4663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4791 1.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4184 -2.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -2.4245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -3.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7596 -4.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 -4.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3012 -4.5291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 -4.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 0.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 3.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9234 2.8717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9544 -3.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -3.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7841 -2.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6538 1.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3892 0.6806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8667 1.4160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0794 3.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 22 2 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 29 2 0 0 0 0 6 30 1 0 0 0 0 6 58 1 0 0 0 0 7 30 2 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 24 1 0 0 0 0 21 10 1 1 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 26 11 1 6 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 1 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 1 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 25 1 0 0 0 0 21 45 1 0 0 0 0 24 27 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 M END $$$$