IFLAB-ZINC04167573 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.0330 1.4050 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 0.0250 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -0.6480 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 0.0570 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 1.4500 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 2.1110 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 1.9750 0.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 1.1680 0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -0.4900 0.5770 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 1.5800 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 0.6220 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3870 1.0150 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 2.3590 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 3.3110 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 2.9310 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 3.8690 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4080 0.0550 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1670 -1.1750 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 -1.4210 -1.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -2.2430 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7240 -3.4790 -1.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 -3.7670 -2.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4480 -3.0630 -3.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2520 -5.1100 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6920 -5.5530 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0730 -4.4160 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -4.3620 0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 1.9260 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -0.5220 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -1.7220 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 3.1850 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8340 -0.4230 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7220 2.6600 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9430 4.3540 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2070 4.2330 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2880 0.2750 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1190 -1.9140 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 -2.4260 0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4470 -5.0040 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0010 -5.8170 -3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 -5.6670 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -6.4800 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 M END