IBS-ZINC05047051 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -2.4990 0.0100 -6.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 -0.1990 -4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 0.2470 -3.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -1.2010 -2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -0.1320 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 -0.7870 -2.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -0.8390 -4.2850 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 0.0770 -0.9750 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 0.4320 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 1.7120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 2.1250 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6200 3.3910 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9740 3.3210 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3670 2.0150 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 1.3060 0.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 1.2440 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4730 -0.0970 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6020 -0.8790 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8730 -0.3360 1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0120 0.9850 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8790 1.7770 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0960 3.1140 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2880 4.1970 0.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -0.7840 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 -1.0670 1.3460 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4070 -0.9500 -6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 0.5910 -6.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 0.5530 -6.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 2.5060 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 4.2680 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5700 4.1290 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4860 -0.5460 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4820 -1.9110 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7530 -0.9430 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0140 1.3920 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 -1.3810 -0.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 22 23 3 0 0 0 0 24 25 1 0 0 0 0 24 36 2 0 0 0 0 M CHG 1 25 -1 M END