NCID-ZINC05063331 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 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 0.6730 -0.5820 1.1230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4600 0.0910 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -0.8150 2.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1910 -1.2100 3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.8200 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -3.0360 1.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -2.8880 0.3130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3610 -2.4890 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -1.9240 0.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9630 -1.7750 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -2.4720 1.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -4.1610 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -5.0660 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 0.4520 2.6060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 0.5010 3.4760 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.3950 0.5490 4.3470 N 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -2.0220 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -1.4080 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -3.3230 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 -6.0090 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -5.2460 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -4.6340 -1.5440 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 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 17 18 2 0 0 0 0 M CHG 1 17 1 M CHG 1 18 -1 M END