BCJ98E -OEChem-04022101512D 33 32 0 1 0 0 0 0 0999 V2000 2.8850 0.0000 0.0000 I 0 5 0 0 0 0 0 0 0 0 0 0 4.0010 3.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.4030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9030 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2690 3.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1350 4.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 3.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 4.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 4.9030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8671 3.9030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 5.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 2.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 2.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.2830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 4.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 4.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 3.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 4.4590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 5.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 5.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 5.5230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0791 3.3204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4776 4.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 4.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2700 5.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4231 5.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 6 5 1 6 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 6 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 M CHG 2 1 -1 4 1 M END $$$$