IBS-ZINC05576514 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 0.6430 1.2420 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.2570 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.9480 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -2.3070 0.7960 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -3.2020 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -2.8600 3.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -4.5730 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -5.3790 2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -6.5650 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2060 -7.5300 2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -8.5300 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -8.1470 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -6.9610 0.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -8.9090 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -8.4100 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -9.1280 -3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -10.3380 -3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -10.8380 -2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -10.1350 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3360 -11.1030 -4.6820 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8220 -10.6660 -5.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -12.1690 -4.7090 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4350 -5.0270 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -6.2160 -0.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -4.0980 -0.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.8150 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -1.4660 -1.4680 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 1.6280 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 1.5010 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.6810 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -0.4530 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -3.5160 3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 -5.0940 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -7.5100 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -9.4330 1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -7.4650 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -8.7430 -4.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -11.7840 -2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -10.5280 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END