BM4K9R -OEChem-04022102452D 43 45 0 0 0 0 0 0 0999 V2000 4.5411 0.0422 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0931 3.4578 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 2.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 0.0422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 1.6977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4021 2.5067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7112 3.4578 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4021 2.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9021 4.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9021 5.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 2.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2798 2.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 1.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.0087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0665 1.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5221 5.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9021 5.6656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2821 5.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 24 2 0 0 0 0 9 25 2 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 29 1 0 0 0 0 17 22 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 25 26 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$