LG2K5N -OEChem-05022323352D 43 46 0 0 0 0 0 0 0999 V2000 7.3008 -0.3032 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 2.8721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1086 2.9843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6969 -1.5594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2391 -2.2615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8311 -2.5504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 1.3311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0658 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1648 0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2883 2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2791 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2639 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7509 0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 2.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4197 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7130 -1.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0414 2.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5113 0.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3796 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1826 0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0508 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2818 1.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5136 0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9302 -2.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 2.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8469 1.8213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6749 2.5750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3654 0.4772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5667 -1.4707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2234 3.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5269 3.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6563 -0.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2057 -1.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9747 -1.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5534 -0.5537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7849 0.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0356 0.7054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5803 -0.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9199 3.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0608 0.2711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8195 -3.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7274 0.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 25 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 16 2 0 0 0 0 5 24 1 0 0 0 0 6 24 2 0 0 0 0 7 25 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 28 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 17 21 1 0 0 0 0 18 23 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$