B8ROE5 -OEChem-04022109023D 54 57 0 1 0 0 0 0 0999 V2000 -1.6587 1.6897 -0.9976 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9937 -2.8603 -0.8494 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 -0.7442 -1.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7417 -2.3071 0.9536 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6699 0.0419 -0.0992 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5773 -2.5616 0.0766 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -0.6749 -0.8748 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2736 1.1025 -0.9372 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9547 0.0388 1.3577 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7301 1.4007 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4221 0.3581 1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9279 1.5887 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4121 2.3676 -0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 0.9497 2.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7413 -0.8198 -0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6989 0.5806 0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0673 0.4477 0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 1.6435 0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2297 2.9776 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0196 3.0650 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 1.7890 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1497 -1.9090 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 -0.4397 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5476 0.0308 -0.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 -1.8386 0.3914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 -1.9276 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5808 -3.9892 0.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 0.7288 -1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 -0.9728 1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0918 2.2837 -1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3543 0.5589 -0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0382 -0.5015 1.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 0.4856 2.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9932 1.7322 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4113 2.4895 1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7873 3.0645 -1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3727 2.1293 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4107 2.8966 -0.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 0.7452 1.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1037 0.7885 3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 2.0089 1.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5516 -0.4711 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9614 0.3729 1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3243 1.5519 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8566 1.6269 1.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8963 3.0812 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9112 3.8114 0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3953 3.9179 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 3.2426 -1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 -1.4980 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9502 -2.5836 0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -4.1824 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 -4.5663 -0.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 -4.3190 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 24 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 25 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 24 1 0 0 0 0 7 26 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END $$$$