B4K6PQ -OEChem-04022103282D 42 44 0 0 0 0 0 0 0999 V2000 9.7619 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0654 2.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5768 0.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.2559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5956 0.7612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1147 2.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2392 2.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1918 1.7079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4794 1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 2.4595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 2.5069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 1.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 0.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 0.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 0.2810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -2.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -1.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 42 1 0 0 0 0 2 23 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 11 1 0 0 0 0 5 12 2 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 2 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 19 1 0 0 0 0 16 36 1 0 0 0 0 17 20 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 M END $$$$