B7BQL9 -OEChem-04022103113D 43 47 0 0 0 0 0 0 0999 V2000 -2.9872 3.3602 -0.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 -2.0111 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5927 -0.1120 0.1150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2718 -3.5172 -0.1423 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 -4.0496 -0.1974 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 -2.9594 -0.1521 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5494 2.0936 -0.4604 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.4202 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3012 -2.1526 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 0.1576 0.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6835 -1.0180 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0132 -1.7748 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 1.3874 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -2.9818 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 -0.4744 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0783 -1.0464 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0145 1.3831 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -0.4734 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8925 2.6928 0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7317 0.1866 0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6209 -1.6800 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 0.7856 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 1.8710 0.7868 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 0.9469 -0.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 3.0675 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3142 4.6117 -0.8958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 3.1268 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 -3.0011 -0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 0.4100 0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6326 -1.9763 0.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 -4.1571 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5627 2.3199 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3319 3.3122 1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 2.5316 0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8184 0.2132 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7095 -1.6774 -0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 1.8198 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 0.1659 -1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3663 3.9250 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2486 4.4703 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 5.2719 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 5.0790 -1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5847 4.0367 0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 26 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 8 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 31 1 0 0 0 0 5 14 2 0 0 0 0 6 14 1 0 0 0 0 6 21 2 0 0 0 0 7 24 1 0 0 0 0 7 27 2 0 0 0 0 8 9 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END $$$$