IBS-ZINC02195277 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 0 0 0 0 0 0999 V2000 1.4840 1.7730 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 0.2480 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -0.1540 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -0.3550 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -0.0600 2.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -0.5340 3.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -0.2400 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -0.6710 5.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -1.4110 6.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -1.6870 5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -1.2580 3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -1.8730 7.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -3.1200 7.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9150 -3.0310 9.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -1.7820 9.6110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -1.0810 8.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -1.2130 10.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 0.0850 11.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 0.6630 12.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -0.0460 13.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -1.3340 13.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -1.9210 12.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -4.2640 7.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -5.0980 7.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -6.2260 6.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -6.4660 5.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 -6.9290 6.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3630 -6.4680 7.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7480 -7.0750 8.5720 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -5.0490 8.5070 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 -8.0910 5.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0160 -7.6810 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 -8.8750 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 -9.9970 4.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 2.2260 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 2.1910 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 2.0760 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -0.1400 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 0.2200 -1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -1.2430 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 0.2480 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -1.4430 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 0.0730 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.3300 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -0.4280 6.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 -2.2320 5.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -1.5080 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -3.7500 10.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 0.6620 10.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 1.6690 12.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 0.4060 14.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -1.8830 14.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -2.9240 12.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6330 -4.4520 6.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -8.8280 6.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 -8.5630 5.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 -6.9820 4.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -7.1600 5.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 -8.5840 3.0970 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 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 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 30 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 31 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 2 0 0 0 0 33 59 1 0 0 0 0 M CHG 1 59 -1 M END