LHEP28 -OEChem-05022323352D 42 45 0 0 0 0 0 0 0999 V2000 7.4668 1.9786 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.5892 2.5776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6518 -0.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9942 0.8543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0259 -1.8319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -1.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7457 -2.4025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6161 -0.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5951 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2613 -0.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9668 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2818 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6578 1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9394 0.8543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2758 1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6723 -0.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3385 -0.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2912 1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6921 -2.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0469 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5034 -1.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7068 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5129 -2.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4192 -2.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3215 -2.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4223 -0.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7889 -1.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4802 -0.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 0.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4576 2.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8848 -1.1752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7221 -0.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6001 0.9856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2298 -2.9907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1052 -3.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1545 -2.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9203 -1.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -2.1626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1735 -2.6430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 21 2 0 0 0 0 3 14 1 0 0 0 0 3 19 2 0 0 0 0 4 19 1 0 0 0 0 4 21 1 0 0 0 0 4 36 1 0 0 0 0 5 20 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$