IFLAB-ZINC04167130 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 0 0 0 0 0 0999 V2000 0.2270 1.3240 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.0730 -0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.5720 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.1940 1.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -0.4080 3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 -1.7850 3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -2.5500 2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -1.9560 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -2.6400 0.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -4.0260 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 -2.3550 4.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -1.7080 5.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -2.4780 6.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -3.7190 6.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -3.9270 5.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7810 -1.9060 7.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 -1.5470 6.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0950 -1.0550 7.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0800 0.2410 7.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 1.0620 7.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 0.5210 8.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 1.9220 9.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3660 2.2250 10.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2250 1.3140 10.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 1.6210 -0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 1.5440 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 1.9020 0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 1.2630 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 0.2150 3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -3.6190 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -4.3880 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -4.5910 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -4.1980 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -4.4940 7.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 -1.0170 7.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -2.6200 7.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 -2.4260 5.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -0.7810 5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8430 -1.6780 7.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -0.2270 9.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 0.3770 8.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 2.6660 8.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2710 2.0670 9.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3180 3.3760 10.8370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 M CHG 1 44 -1 M END