IBS-ZINC02213969 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.6880 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.0660 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.7180 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -4.1280 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -4.1040 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -5.3290 -2.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -6.4520 -1.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -6.4260 -0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -5.2980 0.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -5.3720 -3.9140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -6.7580 -4.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -6.7670 -5.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -6.0040 -6.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -4.5780 -5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -4.6330 -4.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -5.9560 -8.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.8190 -2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9650 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6400 -1.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -2.8650 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -1.9670 3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -0.7650 3.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.0870 2.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -2.6910 4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -1.6220 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -7.3610 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 -7.2890 -3.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -7.2520 -4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -6.2850 -6.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -7.7960 -6.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -6.5070 -6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -4.0620 -6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -4.0430 -6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -5.1370 -4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -3.6190 -4.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -6.9720 -8.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -5.4130 -8.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -5.4500 -8.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -3.2640 2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -3.6880 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.4950 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 0.9050 2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -3.6130 4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -2.0490 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -2.9260 5.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -1.0990 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -0.9830 4.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -2.5400 3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 21 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 20 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 31 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 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END