IBS-ZINC02291038 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3900 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -0.6880 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0150 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.1040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 2.1250 -0.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 1.4800 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 1.8930 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 0.7240 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0220 -0.3680 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6950 0.0150 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -0.6500 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 -1.6960 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 -2.2000 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -3.5100 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -4.3180 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6400 -3.8190 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1940 -2.5120 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 -5.9880 -0.1090 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 -6.3710 -1.4750 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0170 -6.0480 0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -6.9150 0.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2080 0.6760 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 3.2620 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8180 3.8270 1.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 3.9000 -1.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3330 5.2720 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4980 5.7580 -2.6460 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1180 5.0620 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1180 7.1720 -2.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3990 7.8780 -3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 6.8070 -4.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 5.9080 -3.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9100 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 3.1840 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3930 -1.5690 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1740 -3.9030 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4310 -4.4530 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -2.1240 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -7.8360 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -6.5360 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7220 1.4990 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6640 -0.1800 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 3.4500 -2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 5.9210 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 5.2990 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9210 7.6910 -1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 7.1160 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 8.7470 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1160 8.1710 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4910 7.2670 -4.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 6.2730 -5.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 34 1 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END