IBS-ZINC05177584 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.8300 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1150 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1020 -0.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -0.7660 -1.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -3.2790 -1.5170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 -4.1830 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -3.2410 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 -3.2750 -2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -2.3780 -2.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -4.2690 -3.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -4.2660 -4.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 -5.2230 -4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -5.2200 -5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1960 -6.2490 -6.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -6.2430 -7.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 -5.2140 -7.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -4.1870 -6.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -4.1900 -5.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4030 -5.2110 -8.1250 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6300 -6.2910 -9.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3810 -4.1280 -7.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.3400 1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.3790 2.5400 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.2080 3.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -0.1790 3.1100 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -4.1170 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -2.3370 -3.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 -3.2440 -1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -4.9860 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -6.0210 -5.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 -7.0480 -6.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -7.0380 -8.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7650 -3.3900 -6.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 -3.3960 -4.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -7.0960 -8.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 -5.9090 -9.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6700 -6.6710 -9.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9010 -3.1760 -8.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2030 -4.2950 -8.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7670 -4.1060 -6.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -3.6500 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -4.1460 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -3.1110 2.5130 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 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 24 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 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 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 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 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 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END