B6JPV8 -OEChem-04022102212D 43 45 0 1 0 0 0 0 0999 V2000 4.3569 1.6839 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -1.2729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3569 3.4160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 0.8179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.8228 0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8569 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 3.4160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 4.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3569 5.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 4.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3569 5.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2343 1.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4217 0.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9833 1.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 2.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 2.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4769 4.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 5.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 4.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0469 5.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 10 1 0 0 0 0 11 5 1 1 0 0 0 5 29 1 0 0 0 0 6 15 1 0 0 0 0 6 23 2 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 20 2 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 M END $$$$