D08JHR -OEChem-10101305022D 42 44 0 0 0 0 0 0 0999 V2000 6.1822 0.6799 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9234 -0.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2163 0.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1481 0.4211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 0.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -1.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 -0.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 0.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8876 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8368 0.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9819 -0.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8552 1.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8212 0.8694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5283 1.5765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1016 -0.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 1.3344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8912 -1.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -1.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0820 -0.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 0.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 0.1240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 -2.1831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4127 -1.9754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -1.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -1.5342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3885 -0.3032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 -0.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8068 -1.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 1.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3086 -0.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1173 1.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 1.4838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5592 0.3075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3290 0.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 1.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9667 2.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0899 2.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 10 1 0 0 0 0 4 34 1 0 0 0 0 5 16 1 0 0 0 0 5 35 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 10 23 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 M END $$$$