B70OXR -OEChem-04012118272D 39 41 0 0 0 0 0 0 0999 V2000 5.1777 1.1339 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0415 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8111 -1.1169 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1585 0.8527 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 0.7919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 1.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -2.8058 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5197 2.0736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 3.1870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6126 3.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6729 4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -3.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2017 -4.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7017 -3.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 2.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 -0.1321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2289 3.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 3.4312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9226 4.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7805 4.7824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 4.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8621 -2.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7267 -4.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6766 -4.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2843 -3.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8093 -2.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 1.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1151 2.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 -3.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1212 2.5486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 -1.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 -1.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 0.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 35 1 0 0 0 0 8 15 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 M END $$$$