B3YHK1 -OEChem-04022108162D 45 48 0 1 0 0 0 0 0999 V2000 11.7679 -2.8275 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 2.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3515 -2.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 3.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2749 -1.3204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 -1.5283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7679 -1.2181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4559 0.4022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2236 -3.0228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0896 -2.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 -2.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2236 -4.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9557 -3.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0896 -1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 -2.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8217 -1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 -2.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9557 -1.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7749 -2.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 -0.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3515 -2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8736 -0.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4669 0.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0547 1.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0492 1.3157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 2.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2467 3.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7605 -3.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6036 -4.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2236 -4.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8436 -4.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9557 -3.6428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5527 -1.2128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3151 -3.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9557 -0.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1583 -2.2512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9605 -0.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 -0.8039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8503 0.6761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4136 1.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 2.2883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 1.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 3.5019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2034 3.9704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 24 1 0 0 0 0 2 26 1 0 0 0 0 3 21 2 0 0 0 0 4 27 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 11 2 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 7 37 1 0 0 0 0 8 20 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 6 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$