BB6HU1 -OEChem-04022101012D 42 45 0 0 0 0 0 0 0999 V2000 4.5322 1.1017 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -6.0775 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 2.8617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -3.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 2.8617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.9107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 4.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4860 5.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 4.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3799 4.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 6.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 4.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3799 6.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7540 5.9495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 3.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 4.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2860 5.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -4.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9389 0.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 -5.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 -5.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -3.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5704 -6.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -2.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -0.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -1.4299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 3.7949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 7.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 4.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 7.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 6.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8218 4.6166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8218 6.2824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3696 -0.2579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4529 0.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2846 -5.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8402 -4.6681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 -7.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 -1.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 -2.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 24 1 0 0 0 0 4 26 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 19 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 27 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 3 0 0 0 0 M END $$$$