IBS-ZINC04981962 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7090 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.1020 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.7030 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -1.9920 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6670 -1.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.6490 -2.3810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.1070 -2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -4.7940 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -4.3360 -4.3690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -2.9210 -4.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -2.2160 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8330 2.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.2550 2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.9040 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -5.2330 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -4.9990 5.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.0010 2.4910 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0270 0.2760 3.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 0.3040 3.0150 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -4.3950 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -4.4090 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -5.8730 -3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 -4.5490 -4.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 -2.6460 -5.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -2.6210 -5.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.1370 -3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -2.4730 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -4.5780 1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -4.5540 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -5.9840 3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -4.5130 4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -6.3140 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -4.8650 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 -4.9900 4.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -4.4610 6.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -6.0710 5.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -4.7610 6.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -4.5980 4.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 19 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 43 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 17 43 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END