BE96SF -OEChem-04012113052D 44 46 0 1 0 0 0 0 0999 V2000 4.6660 -0.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 -1.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 -1.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.7549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.7549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.7549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9061 2.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.2203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6660 2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -0.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -2.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8066 2.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 2.7594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 2.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4471 -0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 2.7299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 2.7299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 2.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 1.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3891 0.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 0.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 2.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -0.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -0.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 2.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -2.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 -2.9095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 -2.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.8749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 2.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 1 0 0 0 0 2 19 1 0 0 0 0 3 14 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 6 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 6 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$