B3JEM6 -OEChem-04012118062D 51 53 0 0 0 0 0 0 0999 V2000 6.2619 -0.3023 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.9149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.5024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.1070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -2.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -3.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 2.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 3.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 2.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 1.5403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -1.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -1.7789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3445 -0.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -0.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -3.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -0.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -2.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -0.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5719 0.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7249 0.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7249 -4.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5719 -4.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7988 -3.4564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 2.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 2.7285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 3.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7599 4.3557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 3.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 17 1 0 0 0 0 3 26 1 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 10 17 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 23 2 0 0 0 0 20 25 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$