B2UYE3 -OEChem-04022103032D 48 49 0 1 0 0 0 0 0999 V2000 5.9529 2.6041 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4897 -2.4664 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.6707 -4.1889 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 1.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 -0.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4608 1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 -1.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 -3.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6806 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2987 -1.8786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 5.6041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2640 -5.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5842 -4.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7572 -3.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 2.6041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 4.1041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 0.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4118 1.0163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7208 0.0652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2208 1.6041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3086 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 3.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 4.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 4.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8189 3.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6849 2.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 3.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -0.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 1.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 0.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 1.8855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8226 -1.0905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7393 -0.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 -0.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 2.7941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 4.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2174 3.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4204 3.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2864 2.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0834 2.1291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1142 -2.8020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8610 2.5671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0879 3.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2410 3.6410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -5.6041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0858 -4.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 26 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 17 5 1 1 0 0 0 5 35 1 0 0 0 0 18 6 1 1 0 0 0 6 36 1 0 0 0 0 7 21 1 0 0 0 0 9 43 1 0 0 0 0 11 25 2 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 20 15 1 6 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 16 22 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 6 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 26 27 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$