IBS-ZINC02098887 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 74 0 0 1 0 0 0 0 0999 V2000 0.2770 1.8200 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 0.4920 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -0.4280 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 -0.0290 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 1.3240 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 2.2370 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 1.7840 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 0.8210 -0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -0.5000 0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -1.0160 -0.4020 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7570 -1.2750 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -2.3000 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -4.1150 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 -4.7590 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 -5.8690 2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 -6.5320 2.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3450 -7.6400 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 -8.3120 3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 -9.4100 5.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2040 -11.1650 6.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4970 -11.9320 5.7130 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3690 -11.3230 5.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5930 -13.2670 6.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4180 -13.3580 7.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5230 -14.5890 8.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8140 -15.7410 7.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0130 -15.6640 6.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9230 -14.4300 5.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1360 -14.3580 4.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4990 -12.9390 3.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4900 -12.0410 4.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.5350 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 0.1720 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.4530 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 3.2790 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 2.7900 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 1.8150 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 0.8330 -1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 1.0930 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -2.0580 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 -2.9710 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -4.8390 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6510 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1880 -5.1740 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6740 -4.0000 1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -5.4530 3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 -6.6260 2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5940 -6.9510 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 -5.7770 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 -7.2190 4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 -8.3910 3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9840 -8.7350 2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4790 -7.5610 4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 -9.0100 6.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -10.1970 4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -11.8060 5.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2050 -10.7300 7.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2080 -12.4770 8.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3820 -14.6500 9.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8930 -16.7000 8.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2450 -16.5690 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9320 -15.0440 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2020 -14.6610 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4780 -12.6300 4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5340 -12.8670 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -3.0430 0.5670 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8630 -3.4120 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2440 -2.3000 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0620 -10.0380 5.0560 N 0 3 0 0 0 0 0 0 0 0 0 0 10.3130 -10.4720 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7910 -9.3340 5.2290 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 66 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 66 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 69 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 69 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 60 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 M CHG 1 66 1 M CHG 1 69 1 M END