NCID-ZINC04776056 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2160 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.5660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0820 4.1580 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 4.1920 0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7020 -0.6810 -0.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7460 -0.0520 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -1.8980 -0.0430 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2440 -2.4420 -0.0220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -2.8790 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.4020 -0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1200 -4.8160 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -4.7650 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -5.0850 0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7340 -4.7350 -1.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -5.0880 -1.4340 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3850 -5.8780 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4490 -5.5780 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -6.8780 -3.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -7.3610 -4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -6.7290 -5.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -3.8750 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 -2.8240 -0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -4.9510 1.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -4.5780 2.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -3.7890 2.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -5.1430 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 1.9730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.4730 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -2.4640 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -4.4790 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -5.7560 -2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -4.8220 -3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -6.7000 -3.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -7.6340 -2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -5.5820 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 -6.2280 3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -4.8800 3.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -4.9480 5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -8.4930 -4.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 -3.9630 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -4.5840 4.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -3.5760 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 -3.1590 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -8.7620 -5.8640 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 13 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 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 31 48 1 0 0 0 0 45 48 1 0 0 0 0 46 51 1 0 0 0 0 47 50 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END