IFLAB-ZINC04120682 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 8.7650 5.9930 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 5.1890 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 3.8150 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 3.2230 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3830 4.0430 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5180 5.4340 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 3.1300 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 1.8760 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1100 1.9420 -0.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9770 0.6340 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 0.6800 0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 -0.5560 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 -0.7700 -0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1870 -2.2990 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 -2.7770 -0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -1.7800 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -1.9720 -0.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1110 -3.7710 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -4.1790 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -4.2590 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -4.6330 -1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.9280 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6790 -4.8500 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -4.4800 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -5.1650 1.9820 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1920 -5.4940 1.9660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 -5.0960 3.0410 O 0 5 0 0 0 0 0 0 0 0 0 0 8.8710 7.0680 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8750 5.6450 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 3.2000 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6410 6.0640 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 3.3990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 -0.2640 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 -0.4290 0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7020 -2.5530 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7130 -2.7180 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 -4.0850 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -4.2450 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 -4.0280 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -4.6950 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -5.2200 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -4.4220 1.6720 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 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 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 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 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 M CHG 1 25 1 M CHG 1 27 -1 M END