IBS-ZINC04739626 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 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 0.0220 -0.7720 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1680 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.0790 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7820 -1.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.2780 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -0.4920 -3.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -0.0130 -4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.7100 -5.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 1.2150 -6.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 1.9100 -6.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 2.1290 -5.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 1.6540 -4.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 0.9320 -4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 0.4220 -2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.2320 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.3180 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.5260 0.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -5.5930 1.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -6.8330 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -7.9860 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -9.2240 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -9.2710 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -8.0870 -0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -6.9230 -0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -10.5740 -0.9590 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1620 -11.6950 -0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -10.6120 -2.2760 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 0.0270 -0.4310 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -1.0460 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -0.1870 -5.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 1.0540 -7.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 2.2980 -7.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0960 2.6840 -6.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 1.8320 -4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 0.5800 -2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -3.5240 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -2.9310 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -4.0760 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.2400 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -5.5230 2.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -7.9110 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -10.1320 1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -8.1200 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 16 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END