B7QM4J -OEChem-04012114132D 35 37 0 0 0 0 0 0 0999 V2000 3.5962 -2.2356 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7826 0.5349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1363 1.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -0.9266 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -2.2313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 0.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 2.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 -0.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5472 -1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 -1.4266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8041 0.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0933 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0718 1.6916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 0.4551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2874 -0.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6183 1.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4526 1.2014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 2.8105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 2.5642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 2.1140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 2.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5628 0.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3884 -1.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6971 -1.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0727 2.1051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4795 1.5728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6785 1.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9439 2.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 17 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 13 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 2 0 0 0 0 12 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END $$$$