B8WYI7 -OEChem-04012114073D 52 56 0 0 0 0 0 0 0999 V2000 -2.1079 1.2046 -1.6516 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 -2.7018 1.3713 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6890 2.2010 -0.4814 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 0.9434 1.2568 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -1.0161 -0.1061 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9328 -0.7627 -0.3298 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 0.6124 0.2286 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4783 -3.6332 -0.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1542 2.5183 0.0913 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3385 2.3056 -1.3794 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9386 3.0290 1.3109 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4899 -0.8779 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7863 -1.4317 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 -1.3005 -0.9796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1457 -1.1940 -1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 -1.8964 0.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 -0.6536 -0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 0.1634 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 0.5755 -0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5439 -2.7821 0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.0337 -0.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 -1.3872 0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6738 0.3156 0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1874 -0.9003 1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0504 1.8126 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7901 2.1375 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6657 -3.9021 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 -4.2746 -0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6136 3.7086 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9813 2.1495 1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7155 4.0032 0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 -1.2224 0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 0.2175 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7241 -2.5285 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8442 -1.1692 -1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6839 -0.9324 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 -2.3957 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -1.0846 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 -2.2905 -1.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1101 -0.8714 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6828 -1.2949 1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5881 -2.5425 1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4163 1.1549 -1.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6216 -2.3426 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6843 -1.4627 2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7415 3.0098 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7286 2.1761 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6789 -4.2662 0.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8259 -5.0156 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1497 4.2397 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8485 1.2394 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3591 4.8674 0.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 21 1 0 0 0 0 3 26 1 0 0 0 0 4 23 1 0 0 0 0 4 26 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 38 1 0 0 0 0 7 18 2 0 0 0 0 7 25 1 0 0 0 0 8 20 2 0 0 0 0 8 28 1 0 0 0 0 9 25 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 25 2 0 0 0 0 11 30 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 29 31 2 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END $$$$