LKJ4F3 -OEChem-05032301453D 22 23 0 0 0 0 0 0 0999 V2000 -0.2470 -2.2720 1.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1576 -2.5517 -0.9063 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 0.5612 -0.0319 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 -0.4952 -0.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 0.6232 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 -0.5367 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9138 1.8719 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4602 -0.4479 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 1.5071 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3058 1.9607 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0791 0.8008 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2059 1.0373 0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 -1.8604 0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 -0.1984 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3484 2.7980 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 -1.3443 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5872 2.4111 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 2.9326 -0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1629 0.8701 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1309 1.5174 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 -0.8959 -0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1646 -3.1619 1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 9 12 2 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 21 1 0 0 0 0 M END $$$$