B78OAS -OEChem-04012115013D 56 60 0 0 0 0 0 0 0999 V2000 7.4698 1.9003 0.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3543 4.1928 -0.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3636 -1.5757 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6764 -0.9021 -0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8246 0.5575 0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 0.4951 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5564 0.7558 0.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -0.0093 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 -0.2709 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3282 0.9909 1.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5892 -0.2530 -0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9566 0.7388 1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 -0.5053 -1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2632 0.3819 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1166 2.0056 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6654 -0.1067 0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 0.7609 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3197 1.3641 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6885 -1.8162 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0917 -3.1978 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 3.3721 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6722 -1.5790 0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3974 2.2529 -1.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2622 1.4257 0.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4173 3.2031 -1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2822 2.3760 0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -4.1759 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3033 -3.5586 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3597 3.2646 -0.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6609 -5.5147 -0.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 -4.8974 0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8725 -5.8755 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2840 4.2003 0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7416 1.5695 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2087 -0.6440 -1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 1.1286 1.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8022 -1.0870 -1.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6325 1.8016 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2644 3.6948 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3249 4.0819 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7108 3.4307 -0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4722 -1.9889 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 -1.9703 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9071 -1.9563 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 2.2185 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 0.7431 1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4734 3.8922 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9799 2.3692 1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 -3.9262 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -2.8215 1.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 -6.2763 -0.9614 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6361 -5.1790 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1765 -6.9179 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0051 4.9999 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 4.4408 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8505 3.2642 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 29 1 0 0 0 0 2 33 1 0 0 0 0 3 9 1 0 0 0 0 3 19 2 0 0 0 0 4 14 2 0 0 0 0 4 19 1 0 0 0 0 5 16 2 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 15 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 17 2 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 11 13 2 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 38 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 20 27 2 0 0 0 0 20 28 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 26 2 0 0 0 0 24 46 1 0 0 0 0 25 29 2 0 0 0 0 25 47 1 0 0 0 0 26 29 1 0 0 0 0 26 48 1 0 0 0 0 27 30 1 0 0 0 0 27 49 1 0 0 0 0 28 31 2 0 0 0 0 28 50 1 0 0 0 0 30 32 2 0 0 0 0 30 51 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M END $$$$