DR1596 -OEChem-05042004192D 29 29 0 0 0 0 0 0 0999 V2000 3.6372 -1.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6372 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6372 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1785 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5352 0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 1.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 2.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 1.5094 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6372 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6372 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 0.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -0.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7153 -0.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1138 0.3382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8492 -2.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2478 -2.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -2.2325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2342 -3.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0812 -3.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 3.2710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0717 0.9197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4549 2.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 12 2 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M CHG 2 4 -1 8 1 M END $$$$