LDBC79 -OEChem-05022322472D 47 50 0 1 0 0 0 0 0999 V2000 2.3660 -5.2241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3007 4.8092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1097 3.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 4.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2788 5.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -4.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -4.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6762 4.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 2.8711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6113 3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1937 3.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2804 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8452 5.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0872 5.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8399 5.2241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 3.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -4.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -4.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7304 -5.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 6 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 12 15 2 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$