IBS-ZINC04645078 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.4290 1.3560 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 0.0180 0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.4780 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3770 -1.7830 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -2.4120 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -1.7450 -3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -0.4360 -2.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 0.1930 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.4070 -4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 -3.3630 -4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0720 -4.0050 -5.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -3.7130 -6.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 -2.7940 -6.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -2.1200 -5.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -1.1600 -6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.3770 -6.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -2.4810 -8.5180 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -3.6240 -9.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -3.4270 -10.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 -2.5600 -11.4570 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 -5.0180 -5.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -5.1810 -6.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 -6.1270 -6.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 -6.9420 -4.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 -6.8090 -3.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 -5.8620 -4.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 -7.8190 -4.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4220 -8.6610 -3.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 1.4570 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 2.0610 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 1.6010 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 -2.3140 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -3.4270 -2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 0.1070 -3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 1.2060 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -3.5780 -3.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -3.3720 -9.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -4.6600 -9.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -4.5630 -7.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -6.2240 -6.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 -7.4270 -3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5040 -5.8090 -3.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 -8.0730 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 -9.3270 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3070 -9.2860 -3.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -4.1860 -11.3390 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 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 36 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 3 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 1 46 -1 M END