IBS-ZINC02139240 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 0 0 0 0 0 0999 V2000 0.1290 1.5530 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -0.4100 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -2.4840 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -4.0050 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -4.6340 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -6.0960 0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -6.8230 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -8.1560 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 -8.8850 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -10.1090 -0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 -8.1000 -1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 -8.5790 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -6.7230 -1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 -6.1180 -2.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 1.8560 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 1.9780 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 1.9830 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.3640 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.3590 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -0.0660 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -0.0710 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -2.1240 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -2.0990 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -4.3570 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -4.3380 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -4.3220 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -4.2780 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 -6.2620 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -8.7370 2.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -1.9090 0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9900 -2.2640 -0.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -2.2610 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 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 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 M CHG 1 31 1 M END