B2LIP5 -OEChem-04022113553D 28 29 0 0 0 0 0 0 0999 V2000 -2.6816 -3.2643 -0.5313 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2336 -1.7062 1.6914 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0848 0.8901 0.0231 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3825 2.7691 0.4028 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0963 -0.6945 -0.1357 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 0.7868 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1083 1.6780 0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 0.6328 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7208 -0.0628 0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 0.8082 -1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2472 1.5712 0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6195 1.0728 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8262 -0.8910 0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0841 -0.0198 -1.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.8695 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0837 -1.6608 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7089 0.1314 0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4892 -1.1715 -0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 2.1616 1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0723 2.4634 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -0.0881 1.8562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 1.4636 -2.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 -0.9769 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8689 2.1115 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6148 -0.0035 -2.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3685 -1.5143 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7185 0.5102 0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3108 -1.8750 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$