IBS-ZINC04026628 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.8170 -2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -1.2680 -3.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.6260 -4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -2.0560 -5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -2.1480 -5.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -2.5350 -6.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -1.8180 -4.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0390 -1.3830 -3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -1.0470 -2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0970 -0.5970 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -0.2630 -0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 -0.3950 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 0.0180 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 0.3890 2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1740 -0.0250 1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7680 0.3770 2.5440 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1070 0.0850 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -0.3120 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 -1.8020 2.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9270 -2.5830 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7400 -3.9490 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 -4.5340 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5420 -3.7530 4.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 -2.3880 4.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9590 1.8720 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 2.5340 1.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -1.5190 -4.7360 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 -1.0950 -0.7290 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -2.3280 -6.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 -1.1320 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 -1.4330 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 0.2440 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 -0.3210 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7540 -0.0920 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6060 0.0540 3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0780 -2.1250 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 -4.5590 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4010 -5.6020 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3900 -4.2110 5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 -1.7780 4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -0.5250 -5.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -2.2690 -5.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -1.6870 -3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 2.4680 3.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5950 3.4280 3.6050 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 13 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 37 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 12 2 0 0 0 0 12 13 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 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 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 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 M END