IFLAB-ZINC00150011 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 -0.0600 1.5420 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.0220 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.4950 1.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3770 -0.0500 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -2.0130 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.1050 1.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -0.4670 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -1.1540 -0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 0.1390 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 0.0910 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 0.7860 0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 1.5120 1.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 1.5340 2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 0.8420 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 0.6830 2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 1.1800 3.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 2.2530 2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 2.8810 3.2070 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9400 1.9380 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 1.8630 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4270 1.9910 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -0.3230 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -0.3910 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -2.5370 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -2.3800 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -2.2920 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 -0.4600 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5700 0.7720 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1110 2.0800 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 2.1890 1.4660 O 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 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 24 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 15 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 30 2 0 0 0 0 M CHG 1 18 -1 M END