B3A8UQ -OEChem-04022100372D 60 62 0 1 0 0 0 0 0999 V2000 5.4641 2.5194 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9852 -3.5684 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 3.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 1.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5194 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5194 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5194 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6032 -3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2942 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2942 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 3.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 3.4944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 2.0445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.5445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -0.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1929 -3.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6587 -5.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9298 -5.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 31 1 0 0 0 0 2 34 1 0 0 0 0 5 15 2 0 0 0 0 6 10 1 0 0 0 0 7 25 2 0 0 0 0 8 12 1 0 0 0 0 8 40 1 0 0 0 0 9 15 1 0 0 0 0 9 20 1 0 0 0 0 9 43 1 0 0 0 0 10 17 1 0 0 0 0 10 23 2 0 0 0 0 11 25 1 0 0 0 0 11 30 1 0 0 0 0 11 55 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 27 1 0 0 0 0 21 47 1 0 0 0 0 22 28 2 0 0 0 0 22 48 1 0 0 0 0 23 26 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$