B4EKA7 -OEChem-04042102433D 42 45 0 1 0 0 0 0 0999 V2000 2.4589 -1.2446 0.2036 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4857 4.3247 0.3795 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1481 -1.3576 1.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 -2.1902 -0.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6436 0.1170 -0.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1957 0.3705 -0.3472 N 0 0 2 0 0 0 0 0 0 0 0 0 3.4675 1.1696 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 -1.1273 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 0.1814 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 1.0094 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0727 -2.1835 0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9468 0.4606 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 0.2465 -0.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8286 2.3871 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4311 -1.8990 0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8658 -0.5869 -0.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 0.8612 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4134 3.0017 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5801 2.2387 0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8791 0.8101 0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 -0.1789 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 -0.4882 -1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4501 -0.7889 1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6592 -1.4076 -1.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4981 -1.7082 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1027 -2.0176 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 1.8199 0.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5658 1.7493 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7315 -3.1926 0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2935 1.4698 -0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2376 -0.8252 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 3.0201 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1622 -2.6970 0.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -0.3843 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5081 2.7845 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0249 1.5479 -0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9118 1.3200 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2730 -0.0216 -2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 -0.5584 2.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1295 -1.6490 -2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8431 -2.1837 2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9185 -2.7337 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 18 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 12 16 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 18 2 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 M END $$$$