untitled.mol corina 09281205163D 1 1.00000 0.00000 CORINA 3.49 0024 01.06.2011 35 39 0 0 0 0 0 0 0 0999 V2000 2.3088 2.4815 1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4161 1.1145 0.8591 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 0.5490 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2815 1.5020 2.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5391 2.7777 2.1194 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5924 2.0474 3.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3348 1.3573 3.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 -0.8263 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 0.1527 3.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8095 -0.4831 3.7135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0341 0.0855 4.7066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 1.2897 5.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5591 1.9262 4.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -1.6207 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5025 -2.9047 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -3.4059 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4976 -2.6243 1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 -1.3366 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2085 3.1778 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 2.5960 2.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 1.6621 2.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 1.7639 3.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0749 2.7995 3.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 3.7329 4.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0355 3.6319 3.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2681 2.9111 4.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1165 4.0542 5.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9592 4.0404 6.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6514 2.6744 4.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4557 3.0509 4.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8291 2.6998 3.7954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 5.2106 7.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1984 -0.5948 5.1640 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5293 -1.6557 4.6653 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 -0.0939 6.0391 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 1 1 0 3 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 7 1 0 8 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 8 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 20 1 0 23 26 1 0 26 27 1 0 27 28 1 0 29 30 1 0 30 26 1 0 29 31 1 0 28 32 1 0 6 7 1 0 1 20 1 0 1 19 1 0 4 6 1 0 5 6 1 0 33 34 2 0 33 35 1 0 11 33 1 0 M CHG 2 33 1 35 -1 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 33 34 35 M SBL 1 1 39 M SMT 1 NO2 M SBV 1 39 0.8505 -0.4573 M END $$$$