IBS-ZINC02413723 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 0.0890 1.0830 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.3000 -0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -0.7560 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 0.0630 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -0.4990 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 -1.8590 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6890 -2.7040 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -2.1330 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.8490 0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -4.2420 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 -2.1480 0.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -3.0770 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 -1.0160 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 0.0200 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 1.2860 -0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 1.4230 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6920 0.4790 0.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 -0.7880 0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2060 -1.7280 1.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5830 -1.5860 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0990 -2.9240 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4350 -4.1470 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 -2.8030 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4810 -5.3660 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9370 -6.1120 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4640 -5.1330 2.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8860 -5.6260 3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.2690 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 1.3600 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 1.7020 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 1.1250 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8120 -3.7570 0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -4.4300 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -4.7610 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -4.6440 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1940 2.4160 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2200 -1.2570 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6790 -0.8390 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1730 -2.8620 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5630 -3.2090 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8580 -4.4380 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3660 -4.9300 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9060 -2.8810 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5090 -2.5810 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7490 -5.9140 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3560 -5.1260 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7090 -6.8480 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0980 -6.6150 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8880 -4.0440 1.0470 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.4580 -3.8370 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 14 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 9 10 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 49 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 22 49 1 0 0 0 0 23 43 1 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 24 46 1 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END