IFLAB-ZINC04139304 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 -0.1380 1.9460 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 0.4420 0.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4100 0.2770 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 -0.1910 -1.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1130 -1.2370 -1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -0.2020 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.2570 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0810 -0.9280 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 0.3640 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9170 1.1720 -1.1440 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 0.5740 -2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 1.1780 -4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 0.3790 -5.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 0.2840 -4.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -0.3830 -3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.2530 1.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.5620 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -2.1920 0.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -2.1980 2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -3.2020 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -3.8450 4.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -3.5090 5.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.5040 4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -1.8570 3.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -4.1970 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -5.2690 7.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -4.8980 6.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -3.1430 7.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 2.1810 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 2.5070 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 2.3260 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -2.2250 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8510 -1.6060 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2900 0.8730 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 1.2370 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.4290 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7920 1.2270 -4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 2.1990 -4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -0.3170 -5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 1.2830 -4.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -1.3870 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -0.4300 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 0.2470 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -3.4930 2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -4.6160 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -2.2160 5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -1.1160 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -6.0800 6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -5.7260 8.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 -4.8400 7.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 -4.1900 6.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -5.4260 7.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 -5.6330 5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -2.6040 7.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -3.6120 8.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -2.3980 7.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 0.4300 -2.4150 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4800 1.3640 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 57 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 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 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END