L6U4MD -OEChem-05032300392D 52 55 0 1 0 0 0 0 0999 V2000 13.0817 2.0940 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9190 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.5530 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.2850 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 -3.0451 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -2.6791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -1.6791 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3907 3.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2727 2.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8418 0.1972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -1.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0328 1.7850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.2237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.3857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 1.2850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0817 0.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0328 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4939 1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 1.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 2.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 2.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -1.3130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -2.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2125 1.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5448 0.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3339 -0.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6839 -0.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5344 2.1494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 1.8956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 1.4971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 -0.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 2.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6839 -0.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6839 2.6880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1139 -0.4470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 1.8131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 6 36 1 0 0 0 0 7 36 1 0 0 0 0 10 19 2 0 0 0 0 11 32 2 0 0 0 0 12 19 1 0 0 0 0 12 41 1 0 0 0 0 20 13 1 6 0 0 0 13 32 1 0 0 0 0 13 48 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 49 1 0 0 0 0 15 27 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 1 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 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 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 33 2 0 0 0 0 30 50 1 0 0 0 0 31 34 2 0 0 0 0 31 51 1 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 52 1 0 0 0 0 M END $$$$