IBS-ZINC04677653 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.0090 -2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 0.0320 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2840 -2.4040 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.5340 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -4.0510 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -4.6860 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6920 -4.0010 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -4.9490 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -6.1150 -2.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8830 -5.9730 -1.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -6.6910 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 -4.6940 -4.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -3.5660 -5.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5310 -5.7100 -5.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 -5.4670 -7.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -6.4460 -7.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2160 -6.1900 -9.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -4.8970 -9.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2630 -4.6650 -11.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -5.7110 -11.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7240 -6.9950 -11.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -7.2400 -10.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0690 -8.1070 -12.3640 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2300 -7.8910 -13.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 -9.2380 -11.9290 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4570 -2.5220 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 1.0990 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -0.3420 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -0.3680 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.3290 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -0.3190 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 1.1220 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5410 -2.3090 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -2.0410 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -4.4400 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -4.2700 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -6.6090 -5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -7.4470 -7.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -4.0800 -9.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 -3.6660 -11.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -5.5240 -13.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6600 -8.2420 -9.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -2.3300 -3.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 -2.0060 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END