IBS-ZINC00047698 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1900 -0.6780 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0360 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4410 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.1020 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 2.2060 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6190 3.5230 -0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 1.5700 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8940 -0.8010 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 -0.9260 -1.5770 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -1.5530 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 -2.7700 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7790 -3.4010 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 -2.8400 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 -1.6260 -3.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9600 -0.9840 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8740 -1.0300 -4.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5220 0.0240 -5.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -1.7580 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1820 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4620 -0.5600 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -3.2130 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 -4.3380 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3840 -3.3410 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -0.0490 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9730 -1.6550 -5.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4480 -1.2260 -5.8880 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END