IFLAB-ZINC04393629 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.4910 -2.9100 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -2.1180 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -0.7360 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.0050 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.6540 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.0410 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.7730 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -4.2790 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -2.7020 -2.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -3.2100 -3.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1640 -3.9690 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -2.0390 -3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -2.4100 -5.5540 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -1.1970 -6.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -3.4310 -5.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -3.1160 -5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -3.8340 -4.4790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0060 -4.9000 -4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -3.6160 -4.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -2.9680 -2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -2.6530 -2.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 -4.0170 -4.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -3.7520 -4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -4.1490 -5.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9320 -4.8090 -6.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -5.0740 -6.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -4.6850 -6.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 -5.2340 -7.1540 N 0 3 0 0 0 0 0 0 0 0 0 0 7.2310 -5.0010 -6.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 -5.8150 -8.2110 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5620 -3.0820 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -3.8680 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -2.3540 3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -0.2260 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 1.0740 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -0.0830 -2.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -4.6300 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -4.6200 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -4.6760 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -2.0320 -3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -1.0890 -3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -3.8320 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -2.3250 -6.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1700 -3.2360 -3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1160 -3.9430 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -5.5900 -7.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -4.8960 -6.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END