IBS-ZINC05452385 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -1.8410 0.9680 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9700 -0.1930 -0.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -0.7330 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.2560 2.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -1.9140 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -2.5640 2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -2.3070 3.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -3.0730 4.8010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3270 -4.1260 4.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -2.4490 5.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -2.9020 5.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -4.0640 4.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -2.9920 5.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -1.8430 5.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -2.4310 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5310 -3.3880 -0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -1.7610 -1.1880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -0.6810 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -0.2140 -2.4180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 1.7560 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 1.3560 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 0.6910 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -3.4330 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -1.4960 3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -1.3530 5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -2.7070 6.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -2.1110 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -2.0600 5.4640 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5280 -4.0890 6.1800 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 M CHG 1 28 -1 M CHG 1 29 -1 M END