IFLAB-ZINC01475710 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -0.5110 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.7580 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -2.1970 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -0.7510 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -0.5460 2.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -1.2720 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9580 -1.4910 2.9100 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -2.0960 2.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -2.2820 1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4260 -2.7560 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -3.0450 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 -2.8620 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -2.3940 3.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -2.2030 5.1990 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.4700 -2.4640 6.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -1.7850 5.3300 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -0.6060 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 -0.0680 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -2.3810 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -2.3490 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -2.8870 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -0.5600 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -2.2300 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -2.0550 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8420 -2.9000 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1930 -3.4150 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2530 -3.0880 4.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END