CHEMDIV-ZINC04008338 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 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 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -1.8060 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -2.3350 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -3.7090 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -4.4780 -1.6390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -3.9470 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -2.6350 -0.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -4.7840 0.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -4.0090 1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -4.9700 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -5.8710 2.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -6.6420 1.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -5.6970 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -4.3250 -3.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -1.4450 -3.4910 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1440 -1.0680 -3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -1.0880 -4.4350 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -3.4050 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -3.3580 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8240 -4.4030 3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -5.5370 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -7.2830 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -7.2570 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -6.2790 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -5.1200 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -4.4640 -3.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -5.2900 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -3.6660 -4.6370 H 0 0 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 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END