IBS-ZINC01782762 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0200 -0.6160 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6720 -1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1360 -1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6220 -2.4960 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -2.6310 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -2.2120 -2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -3.0430 -2.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -2.6610 -2.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 -1.4440 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -0.6120 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 -1.0010 -3.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 0.6880 -3.8230 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2200 1.4170 -4.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 1.0280 -3.8860 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4380 -3.5510 -1.6090 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1380 -4.6190 -1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 -3.2140 -1.6720 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3870 -2.6590 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 -1.8860 -0.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.1820 -2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -3.7180 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -2.1990 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -3.9910 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -0.3560 -3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 -1.0660 -2.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -3.9820 -1.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -4.2690 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -1.3470 -3.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 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 28 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 29 1 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 20 21 2 0 0 0 0 20 31 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M END