L4DOQ5 -OEChem-05032301223D 39 41 0 0 0 0 0 0 0999 V2000 -1.2257 1.3682 0.1911 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3267 2.6926 -0.3925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7036 1.1255 1.5392 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5157 0.9017 0.4047 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7877 -1.7530 0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 0.2276 -0.8643 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2004 -0.2138 -0.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1352 0.7242 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4789 0.8991 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4769 -1.4630 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7996 -2.1158 -0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5436 0.1950 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7735 -1.2912 0.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 0.1591 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 1.4669 -0.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9697 -0.0387 1.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6767 1.0968 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3141 -0.4085 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -0.2249 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2107 -0.6174 1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2574 -0.2030 -1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5550 -0.9878 1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6016 -0.5735 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2504 -0.9659 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 0.9141 1.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1767 1.6722 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 -0.4513 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 -2.0723 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 -2.3315 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6451 -3.0603 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9703 2.1987 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3188 -0.5029 1.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 1.5870 -1.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 -1.1660 1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7191 -0.6208 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 0.0654 -2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 -1.2870 2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1419 -0.5632 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2971 -1.2543 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 4 12 2 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 8 12 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 13 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$