IFLAB-ZINC00181231 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.6250 1.5650 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 0.0790 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -0.5200 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -1.9170 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -2.7330 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9090 -2.1350 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.7340 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -2.8850 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -4.5250 -0.6440 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -4.8750 -1.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -4.9590 0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -5.0950 -0.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -4.9120 -1.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3840 -3.8790 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 -5.0960 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0340 -4.1000 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -3.5350 0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -5.8800 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -5.4630 -3.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -6.3500 -4.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 -7.6660 -4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -8.0970 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -7.2120 -2.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -2.4220 -3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.8320 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 1.9260 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 2.0840 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 0.1170 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.2690 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 -3.1070 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -2.2880 2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -3.8090 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -4.6430 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -4.9490 -1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 -6.1050 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -4.4420 -4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -6.0120 -5.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -8.3550 -5.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -9.1220 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -7.5600 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -2.8120 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -3.1790 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -1.6200 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0110 -3.9820 1.0720 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 44 -1 M END