IBS-ZINC04088877 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 61 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -3.2130 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.4260 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -3.6310 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.4100 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.0100 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -3.3010 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -5.4180 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -5.8020 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 -5.7760 -5.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -6.4850 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 -4.3680 -5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -3.9830 -3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -6.1610 -6.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -6.2520 -7.6350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -6.5790 -8.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -6.7990 -9.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -6.6720 -9.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8120 -5.8630 -9.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -8.0170 -9.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -8.0980 -8.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -8.1120 -10.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -9.1540 -10.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -1.8040 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -5.4360 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.1270 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -5.0930 -4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -6.8050 -4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 -3.6590 -5.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -4.3490 -6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -4.6930 -3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.9810 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -5.4030 -6.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -7.1250 -6.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -6.0760 -7.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -8.0310 -11.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -9.0700 -10.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -7.3020 -10.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -9.0720 -11.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -9.0860 -9.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -10.1120 -9.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -7.3030 -11.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -2.3720 1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -6.5630 -11.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -6.5580 -11.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -2.7330 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 58 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 59 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 57 59 1 0 0 0 0 58 61 1 0 0 0 0 59 60 1 0 0 0 0 M END