IFLAB-ZINC04554200 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 3.6520 -8.9380 -0.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -7.8190 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -7.8160 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -6.7890 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -5.7660 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -5.7690 0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -6.7980 0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -4.6520 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -4.4560 0.2900 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -3.6200 1.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -3.9850 -1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -5.1250 0.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -5.2990 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1240 -4.6400 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 -5.2090 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0920 -4.8930 2.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 -5.5610 2.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9650 -6.6440 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -5.1410 3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -5.7140 4.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -5.2200 5.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -5.5950 6.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -6.3430 7.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -5.0910 7.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -4.3430 6.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -5.4660 8.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -4.9720 9.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -5.8200 10.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -4.5040 10.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -6.7860 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -8.6780 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -9.0940 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -9.8530 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -8.6160 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -6.8020 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -4.8390 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -4.6040 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -3.7060 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 -4.8280 -0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 -6.3620 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -3.5630 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -4.8440 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -4.7590 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -6.2890 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -3.8140 2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -5.2780 3.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -5.5220 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -4.0530 3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -5.4020 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -6.8030 4.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -4.6220 4.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -6.0640 8.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -4.4380 8.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -6.7460 10.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -5.8440 10.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -3.6620 11.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -4.5640 11.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 -7.3530 -1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -5.7600 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -7.2420 -2.5790 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 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 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 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 M END