BJ9F7Z -OEChem-04022115553D 47 49 0 1 0 0 0 0 0999 V2000 -3.8470 1.0825 -0.7005 P 0 0 2 0 0 0 0 0 0 0 0 0 -2.7998 -1.6418 -1.0285 P 0 0 1 0 0 0 0 0 0 0 0 0 -1.6577 -2.9431 1.3584 P 0 3 0 0 0 0 0 0 0 0 0 0 -0.6494 0.7382 0.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9181 4.2933 0.6657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 2.7211 2.4784 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3416 -0.3666 -0.1994 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4326 1.7614 0.6440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 1.0637 -1.8617 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6328 -2.7873 0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0947 -2.1214 -1.8692 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5713 -1.3924 -1.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8959 -1.7175 2.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 -4.3468 2.0684 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1545 -2.8964 0.8052 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7536 0.5701 -0.1496 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 0.1324 -2.0668 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4814 -0.0791 1.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4806 -0.8749 0.2779 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6366 -0.9705 -2.1081 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 1.9557 0.2154 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3832 3.0717 0.2040 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7034 2.5111 1.1010 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6557 1.0117 0.7930 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3327 1.9695 -0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9868 0.0950 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6908 0.5737 -1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 -0.1705 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9172 -0.6736 -0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7387 -0.5696 1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 1.9966 1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 3.2142 -0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6759 2.9775 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7719 0.3847 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 1.5376 -1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6098 2.9997 -1.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1824 4.9251 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 2.3007 3.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 0.9081 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2974 1.4567 0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -0.7431 2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 -0.8211 -3.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5763 -1.3350 -2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 -1.6281 -2.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3402 -1.6343 3.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4021 -4.6187 2.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5936 -2.9670 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 21 1 0 0 0 0 4 24 1 0 0 0 0 5 22 1 0 0 0 0 5 37 1 0 0 0 0 6 23 1 0 0 0 0 6 38 1 0 0 0 0 8 40 1 0 0 0 0 11 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 16 24 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 27 2 0 0 0 0 17 28 1 0 0 0 0 18 26 2 0 0 0 0 18 30 1 0 0 0 0 19 29 1 0 0 0 0 19 30 2 0 0 0 0 20 29 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 31 1 0 0 0 0 22 23 1 0 0 0 0 22 32 1 0 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 28 1 0 0 0 0 27 39 1 0 0 0 0 28 29 2 0 0 0 0 30 41 1 0 0 0 0 M CHG 1 3 1 M END $$$$