BO3HW7 -OEChem-04022104512D 59 61 0 1 0 0 0 0 0999 V2000 12.6264 2.6428 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6408 3.7216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 2.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 -0.7968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4187 -0.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6442 -2.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7585 2.1870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -0.4114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6524 0.6524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 -2.7467 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2905 1.1595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 0.5635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0017 0.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5678 1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 2.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7585 1.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9766 2.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6524 2.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1547 -0.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5585 1.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5585 2.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4661 -1.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4226 0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 -2.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 0.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 -3.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0226 1.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0264 2.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8866 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8944 2.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7546 1.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7584 2.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5382 0.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 0.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 0.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 2.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0831 1.3005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 3.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3972 2.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 3.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7076 3.3691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -1.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7472 -0.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -0.1137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4202 3.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2929 1.7795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7543 0.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5513 0.1797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5736 -3.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3161 -4.3261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 -3.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1828 -1.8595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -2.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 -3.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4907 2.4649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8843 0.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8967 3.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 0.8341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 18 2 0 0 0 0 3 21 1 0 0 0 0 3 46 1 0 0 0 0 4 22 2 0 0 0 0 5 23 2 0 0 0 0 6 24 2 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 12 8 1 1 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 9 16 2 0 0 0 0 9 20 1 0 0 0 0 10 24 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 23 1 0 0 0 0 11 25 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 M END $$$$