IFLAB-ZINC02722130 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 0 0 0 0 0 0999 V2000 -3.5280 -1.8060 5.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -2.6140 4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -2.4370 4.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6950 -3.0900 3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -3.8880 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -4.5520 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -4.4280 1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 -3.6400 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.9580 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -2.1080 4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -1.5190 5.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -1.9840 4.4920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 -1.0960 5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0920 -1.4460 6.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 -0.2710 7.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0710 -0.1960 7.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 0.7720 6.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 0.2630 5.3100 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6560 1.0630 4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 2.4180 4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4600 2.9880 5.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 2.1530 6.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 4.4860 5.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4120 -2.8140 6.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6450 -3.2530 7.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -4.5820 7.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 -5.2300 7.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -4.1370 7.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -0.7500 5.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 -1.9420 5.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 -2.1520 6.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -3.6700 4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2230 -2.2690 3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -3.9890 2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -5.1720 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -4.9530 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -3.5470 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -2.5090 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 0.6260 3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 3.0480 3.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6640 2.5640 7.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 4.8440 6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 4.7460 6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4900 4.9490 4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -2.6140 7.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6020 -5.0640 7.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3770 -6.2700 7.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 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 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 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 38 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 M CHG 1 18 1 M END