IBS-ZINC00226226 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.6000 -1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 0.0700 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.1040 -1.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8610 -2.5100 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.6410 -1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -4.1480 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -4.8130 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -6.1940 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -6.9130 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -6.2430 -2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -4.8620 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -7.0070 -3.8290 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6350 -6.4180 -4.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -8.2250 -3.7990 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5620 -2.1400 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -2.2700 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -2.3060 -2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -4.2530 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -6.7130 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -4.3400 -3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -8.2720 -1.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 -2.5050 -2.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -2.2170 -1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -8.6820 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 27 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END