IBS-ZINC04043954 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 0.2480 1.5190 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 0.0810 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -0.6630 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -0.0520 2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -0.8020 3.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -2.1710 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -2.7870 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -2.0450 1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 -2.6950 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -2.0020 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.5270 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 0.1130 -2.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -2.5950 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 -3.5150 -2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -4.5050 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -4.0610 -0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 1.7160 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 1.9680 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.9980 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 1.0140 2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -0.3130 4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -2.7610 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -3.8610 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -1.8220 -3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 -3.1670 -2.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -4.3720 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -3.2030 -3.9010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 27 -1 M END