B3WQR6 -OEChem-04012116522D 45 47 0 1 0 0 0 0 0999 V2000 5.6660 -2.5173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.5173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -2.5173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.9827 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9962 1.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.4827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5321 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 1.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 2.8750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 3.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 3.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 3.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 1.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 1.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.8280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 2.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 2.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 4.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 0.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 3.3156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2631 -1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 25 2 0 0 0 0 5 7 1 0 0 0 0 5 45 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 25 1 0 0 0 0 7 44 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 25 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 M END $$$$