IBS-ZINC04040161 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 -2.0520 -1.1430 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -1.0760 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.6310 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.6370 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.1480 -0.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -1.2910 -1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -1.4570 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -2.0610 -1.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -2.3400 -1.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -2.2960 -2.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -2.8940 -4.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.2300 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.2550 2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -1.3370 3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -2.7900 3.1860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4460 -3.0590 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -3.4110 4.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -2.4860 5.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -2.6720 6.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 -1.1490 4.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 0.0050 5.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -4.8450 4.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -5.4870 5.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -7.8530 4.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 -7.4220 6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -3.2980 2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -4.0070 1.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -4.1720 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -3.5580 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -3.0350 3.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 0.8260 3.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 -0.6500 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -2.1840 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -0.6410 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -3.8770 -3.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -2.2410 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -3.0250 -4.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -0.7080 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 0.8550 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.5110 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0560 -5.0060 5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -5.2840 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -5.5210 4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -4.9300 6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -7.8360 3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -7.5310 4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -8.8540 4.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1400 -6.7510 7.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -7.4430 5.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7380 -8.4240 6.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4640 -4.3450 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 -4.6660 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -3.4120 3.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -0.2570 6.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -6.9120 5.6220 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0060 -6.8950 6.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 31 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 55 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 55 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END