IBS-ZINC04980907 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 -0.5210 -0.4400 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 -0.0100 3.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 1.8640 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 2.6490 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 4.1310 2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4940 4.8290 3.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 5.6190 4.9380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4930 4.9470 5.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 5.9730 5.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 5.5320 4.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 4.7840 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 4.2280 2.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 5.6910 4.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 6.5330 6.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 6.8390 7.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 6.8670 7.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 6.0340 8.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6400 6.3560 8.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 7.5070 8.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 8.3440 7.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5140 8.0270 7.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3200 9.4920 7.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6690 9.7510 7.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 6.8400 4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 7.6680 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 8.7920 3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 9.1170 3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 8.3160 4.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 7.1830 5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 8.5220 5.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 9.7240 5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -1.4970 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -0.2030 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -0.1920 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 0.2630 3.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -1.0900 3.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.5070 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 1.9970 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 2.1690 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 2.2350 3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 2.5540 4.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 4.6080 2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 4.2330 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 7.3360 8.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 5.1280 8.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 5.7070 9.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2810 7.7210 8.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 8.6840 6.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3270 8.9260 7.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7530 9.9620 8.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9960 10.6450 6.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 7.4500 2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 9.4210 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 10.0020 3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 6.5740 6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2510 9.7640 6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 9.7300 4.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 10.6050 5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 0.3800 2.4960 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7240 0.1410 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END