NCID-ZINC01648115 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 0 0 1 0 0 0 0 0999 V2000 -0.0940 1.2700 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.1880 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.8480 1.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -1.1900 1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -0.3960 2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -0.7200 2.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -1.7990 2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -2.5860 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -2.3070 1.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -3.6590 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1910 -3.9420 0.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 -3.1310 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -2.0690 2.2040 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 -3.4030 1.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -4.4940 -0.2560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 0.7420 3.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -0.8940 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -0.2390 -2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -0.9370 -3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.3250 -3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -3.0110 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -2.2980 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -3.0490 -4.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -2.5610 -5.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -4.2360 -4.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 -5.2140 -6.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4500 -4.6940 -6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -6.3270 -5.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -5.8200 -5.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -6.8990 -5.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2030 -8.0960 -5.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -5.9330 -6.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -5.9320 -5.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 1.6250 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.6910 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 1.6870 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.2090 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 -1.7520 1.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 -4.1970 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7340 -2.8000 2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -4.3090 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -5.2680 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 1.1230 3.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 1.2130 3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 0.8440 -2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -0.3900 -4.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -4.0950 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -2.8930 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -4.5100 -4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -7.0710 -6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -6.8590 -4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -5.1450 -4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -5.2470 -6.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7770 -6.4550 -4.9560 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4080 -6.4020 -7.4220 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 32 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 M CHG 1 54 -1 M CHG 1 55 -1 M END