B6J8GD -OEChem-04022106432D 41 44 0 0 0 0 0 0 0999 V2000 5.4641 -0.9648 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 -2.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 -2.5526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -3.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7275 -5.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 -4.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -3.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5464 -4.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 -5.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1342 -5.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7329 -6.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 3.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 -3.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5286 -5.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7508 -4.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4808 -6.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 20 2 0 0 0 0 4 22 2 0 0 0 0 5 25 2 0 0 0 0 5 26 1 0 0 0 0 6 27 3 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 2 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 38 1 0 0 0 0 24 26 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 M END $$$$