IFLAB-ZINC05145134 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 0 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8190 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.5610 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.3310 2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -3.6670 2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -4.4100 1.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -4.2240 3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -4.5110 3.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 -5.0100 4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -5.1550 6.0080 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -4.5240 4.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -4.3420 5.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -4.6690 6.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -5.1250 7.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -4.4760 6.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -4.8040 7.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -4.6100 8.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -4.0860 7.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7820 -3.9080 7.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -4.2450 8.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4880 -4.7640 9.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1440 -4.9550 9.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -5.1200 10.8730 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2460 -4.9570 11.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -5.5770 11.7440 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5080 -5.4000 5.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 -4.2670 2.5520 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -1.7390 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -3.9780 4.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -4.0720 5.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 -5.2090 8.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 -3.8220 6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -3.5030 6.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 -4.1020 8.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5070 -5.3640 10.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 -4.5440 5.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -6.2180 5.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.7220 4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9960 -3.2580 2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -4.9900 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -4.3770 1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END