D01XCA -OEChem-10101305022D 44 46 0 1 0 0 0 0 0999 V2000 4.5981 0.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6550 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 2.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.6550 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 5 1 0 0 0 0 1 13 1 0 0 0 0 4 23 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 19 2 0 0 0 0 15 36 1 0 0 0 0 16 21 1 0 0 0 0 16 37 1 0 0 0 0 17 22 2 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 M END $$$$