LEG2R4 -OEChem-05022322552D 43 45 0 0 0 0 0 0 0999 V2000 4.2436 3.9242 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -3.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 -0.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 4.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 3.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -3.2127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -2.2616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 0.2700 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6503 4.8377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -3.8004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -4.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -4.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 -5.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -5.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -3.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 -2.2616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -1.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -0.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 1.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 1.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 2.9061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 2.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2608 -4.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 -3.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7664 -3.8513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -4.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 -5.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9919 -5.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -5.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4502 -5.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2841 -3.4042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 -1.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -1.8986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 1.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 0.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 3.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 2.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 5.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2669 4.9025 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 10 1 0 0 0 0 1 23 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 19 2 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 34 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 37 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 38 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$