LDEK35 -OEChem-05022321553D 29 30 0 0 0 0 0 0 0999 V2000 4.5082 0.0501 0.1291 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 -0.5985 0.8161 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8572 1.1368 1.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0415 -1.2848 0.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4196 -0.3128 -0.1645 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8872 0.5198 -1.4695 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -0.2257 -0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 -0.0558 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2808 0.7934 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 0.9784 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7687 -1.3448 -0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9855 1.0633 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 -1.2598 -0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7273 0.3975 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7308 0.8570 -0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 0.0782 -0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4293 -0.7923 0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 1.6193 -0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1212 1.1619 1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8161 -1.2066 -0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0245 1.8736 0.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3069 -2.2885 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 2.0125 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -2.1421 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 1.6472 -1.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8579 0.1432 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9129 -1.5695 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2175 1.4810 -1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3416 -0.1744 -2.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 13 2 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$