B85SMR -OEChem-04022108322D 60 63 0 0 0 0 0 0 0999 V2000 10.6603 0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2882 0.4937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2882 -1.2384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -1.1771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7882 -0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5152 -2.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7882 -0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -0.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -0.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.5200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 2.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 0.0450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -0.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -0.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.1026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 2.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 -1.1824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3972 1.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9259 -2.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7078 -2.7170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1045 -1.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9082 0.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 18 1 0 0 0 0 2 30 1 0 0 0 0 2 60 1 0 0 0 0 3 30 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 23 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 15 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 17 20 2 0 0 0 0 17 49 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 19 50 1 0 0 0 0 20 25 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 21 27 1 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END $$$$