IBS-ZINC02227327 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 1.4600 1.6080 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 0.1340 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.0890 0.3090 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9400 0.5450 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 0.3900 1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -1.5480 0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0090 -1.5030 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.0530 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -2.9280 -1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -1.3820 -2.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.6330 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0710 -1.5960 -3.8080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0450 -1.9270 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -2.6090 -4.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -4.0400 -3.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -5.0180 -4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -4.8050 -4.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -0.2610 -4.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.5930 -3.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 -2.5480 1.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -3.4240 1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -3.4110 1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -4.4180 2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -5.3830 3.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -6.3120 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -6.2710 4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -5.2980 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -4.3590 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -3.3980 2.2540 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -2.5820 1.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 1.7070 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 2.0910 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 2.1510 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -0.3660 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -0.2920 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 1.4680 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 0.1950 1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -0.1120 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -2.2980 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -2.6010 -5.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -4.3220 -4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -4.1290 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -5.4140 2.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -7.0680 4.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -6.9950 4.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -5.2720 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -5.9370 -5.2480 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8620 -0.1770 -5.7370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 18 19 2 0 0 0 0 18 48 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 -1 M END