B4CY5D -OEChem-04022106202D 27 28 0 1 0 0 0 0 0999 V2000 2.0000 1.6274 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9511 1.3184 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 4.6261 -1.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5691 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 0.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 0.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8791 0.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 1.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3249 2.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6536 2.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8665 2.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1953 2.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 0.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9988 0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8649 0.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 11 1 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 1 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$