B2MZQ5 -OEChem-04012117062D 41 42 0 1 0 0 0 0 0999 V2000 6.3301 -2.7220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -2.9347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -3.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -3.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9101 -0.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2220 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2044 -2.2261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2044 -1.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -2.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4145 -3.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9654 -2.7982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -2.1143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.8046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0358 -3.2771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 -2.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7173 -2.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 14 2 1 6 0 0 0 2 21 1 0 0 0 0 5 15 2 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 20 2 0 0 0 0 8 23 2 0 0 0 0 9 24 1 0 0 0 0 9 41 1 0 0 0 0 10 24 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 6 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$