BZ3D5K -OEChem-04042101343D 42 42 0 1 0 0 0 0 0999 V2000 2.5981 1.7649 0.4069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 1.3432 -1.1794 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5229 -0.4639 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3492 0.4413 -0.0613 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8638 0.0750 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -0.0542 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0602 -0.7904 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4067 -0.2238 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1857 0.5414 -0.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 0.0594 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7064 0.6430 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5617 -1.0829 0.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0620 0.1134 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5713 -1.0343 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 0.7722 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 -1.5233 -0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0573 0.2833 1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5666 -0.8644 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5731 -0.5350 1.4274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 -1.4763 -0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 0.4943 -1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8308 0.1494 -1.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0255 1.0900 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 0.1971 1.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9356 -1.1413 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9325 -1.7983 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0638 -0.8962 1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5286 0.7955 0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4362 -0.1648 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5701 -1.0343 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 0.3247 1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5385 0.4328 -1.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7043 1.7382 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 1.7307 1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4844 -2.1035 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5153 -0.6631 -0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5774 -1.1308 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0008 -1.5573 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 1.6661 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 -2.4172 -0.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6357 0.7959 1.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5416 -1.2451 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 34 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 12 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 18 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 M END $$$$