B31EXW -OEChem-04012120352D 52 54 0 1 0 0 0 0 0999 V2000 8.7788 2.1036 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6065 1.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 1.4455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1097 2.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 0.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7654 -0.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 2.1023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6113 3.2112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 3.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 0.6479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8452 0.9854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1590 -0.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8944 -0.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3719 -0.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 5 18 1 0 0 0 0 5 49 1 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 6 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 13 14 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$