BS31QE -OEChem-04012120292D 44 45 0 1 0 0 0 0 0999 V2000 5.4641 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 42 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 2 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 22 1 0 0 0 0 19 39 1 0 0 0 0 20 23 2 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$