IFLAB-ZINC04585970 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0330 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4260 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 -0.0440 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -1.2500 -0.0610 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 -2.5350 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -2.0120 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -3.8960 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -4.3240 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 -3.5200 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8150 -5.8000 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6080 -6.0510 -0.1050 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6710 -7.8120 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 -8.6290 -0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0450 -9.8490 -0.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3570 -9.8850 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7970 -8.5810 -0.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0930 -8.1480 -0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -11.0970 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6590 -12.3500 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 -13.4550 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7670 -13.3430 -0.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3190 -12.1820 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5690 -11.0250 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9840 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 1.0270 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 -4.5390 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 -6.2630 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3760 -6.2540 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4480 -8.0380 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6760 -8.7710 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 -12.4490 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0750 -14.4250 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3730 -12.1380 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0290 -10.0780 0.3910 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 34 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 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 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 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END