B3QUS1 -OEChem-04012112433D 29 30 0 0 0 0 0 0 0999 V2000 3.0148 1.9746 1.3363 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 0.4705 0.2904 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7696 -0.9409 1.0653 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 0.6166 -0.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 2.7021 0.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3602 2.6040 -1.2842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2507 -0.5799 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -0.2485 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5727 -0.0190 -1.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 -1.6394 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 0.2654 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1143 -1.9478 -0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2156 0.5876 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1211 -2.4755 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 -2.1532 0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4509 0.0599 0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 -1.3079 0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 2.0314 -0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1173 -0.7636 -1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 0.8429 -1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2851 1.3297 -0.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9621 -2.6172 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 -3.5476 0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6184 -3.2192 0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3163 0.7059 0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5492 -1.7182 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 -0.9714 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 0.8943 0.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7882 3.6712 0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 18 1 0 0 0 0 5 29 1 0 0 0 0 6 18 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 M END $$$$