L0EM2B -OEChem-05022322552D 46 49 0 0 0 0 0 0 0999 V2000 4.4487 0.3458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8446 -1.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8446 -2.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.8446 -0.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4487 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -2.4589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -0.8495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 2.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.4391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 3.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8446 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8446 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 -2.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8446 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3446 -2.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3446 -0.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8446 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 2.1835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0982 2.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 3.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 1.0747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 0.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 3.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 3.3004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 2.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 1.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 1.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -0.8442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4536 -3.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.2742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -2.4642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0346 -3.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0346 -0.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6546 -3.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6546 -0.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 28 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 7 10 1 0 0 0 0 7 38 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 40 1 0 0 0 0 9 16 1 0 0 0 0 9 19 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END $$$$