NCID-ZINC05121093 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 4.0610 1.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 5.6240 1.7460 P 0 0 3 0 0 0 0 0 0 0 0 0 2.2630 6.3210 1.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 6.2910 1.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 6.2160 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 6.6690 3.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4520 7.6260 3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 5.6360 4.1130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3400 4.6160 4.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 5.8010 3.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 6.1440 5.5640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8130 6.9920 5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 6.5820 5.8270 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3470 7.5020 6.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 6.7940 4.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 5.5240 6.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 4.5520 5.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 3.7800 6.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 4.2070 8.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 5.3280 7.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 5.9370 8.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 5.4970 10.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 4.4460 10.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 3.7790 9.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8480 2.6780 9.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 5.0940 6.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 3.9460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 6.8750 1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 5.1900 2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 4.4380 4.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 6.0150 10.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 2.1910 9.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 2.3920 10.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 5.3680 7.3770 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 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 33 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 M CHG 1 34 1 M CHG 1 36 -1 M END