IBS-ZINC04834217 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 0.1910 1.4550 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -0.0060 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.8200 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.4210 2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -1.2770 3.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -2.6510 3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -3.1680 5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -2.3220 6.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7340 -0.9590 5.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.4190 4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 0.8920 4.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 0.9560 2.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 1.9680 2.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -4.6270 5.2200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9560 -5.3710 4.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -5.0840 6.3340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.2080 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -3.2220 1.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -2.1290 -0.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -0.8080 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 1.7600 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 1.8150 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 1.8780 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -3.3090 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.7340 7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -0.3110 6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 1.6630 4.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -2.8830 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 -0.3800 -2.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.5710 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 29 2 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END