IBS-ZINC05562619 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 -1.6640 -0.9420 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2800 -0.3000 0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3980 0.7880 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -0.8060 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 -1.9000 -1.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 0.0390 -2.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.2250 -2.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 1.7040 -3.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 2.5590 -4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 0.8550 -4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -0.2030 -3.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -1.2250 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -1.1520 -5.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -0.0810 -6.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 0.9440 -6.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 0.0690 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 -0.3010 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.7240 3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.3630 2.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -0.2920 4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 0.2670 5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -0.4900 6.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3640 0.0480 8.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7980 -0.6300 9.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 -0.1690 10.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 0.9670 10.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 1.6400 9.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 1.1800 8.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.4920 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -0.8100 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -2.0200 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 1.7800 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 -2.0700 -3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -1.9410 -6.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -0.0410 -7.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 1.7760 -6.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 1.1560 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -0.1840 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -1.3670 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 0.2960 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -0.4180 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -1.7990 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -0.9600 2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 0.6950 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 0.1700 4.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -1.3790 4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 1.3510 5.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7970 -1.5750 6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -1.5200 9.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -0.6980 11.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 1.3250 11.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 2.5200 9.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.7150 7.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.6380 1.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.0060 3.4110 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2120 1.0140 3.4430 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 54 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 54 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 55 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 55 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 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 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END