PUBCHEM-ZINC02679922 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -0.5220 -1.6850 -2.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -0.4900 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 0.7990 -2.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -0.7050 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -0.4400 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 0.0620 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 1.5830 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -0.3330 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8270 -0.4660 -1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 -0.8340 -3.3840 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0070 -1.9200 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 -0.3040 -3.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5330 -0.7580 -5.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7030 -0.4710 -5.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 -1.0340 -7.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9560 -0.8270 -7.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 -0.0440 -7.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8960 0.5300 -6.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7460 0.3140 -5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2030 0.1780 -8.2630 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2550 -0.3480 -9.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1010 0.8770 -7.7730 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9700 -0.2650 -4.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -0.3350 -5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -1.5470 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.6150 -1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -1.8300 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 0.7830 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.6780 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.9300 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -1.6240 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 0.1300 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 -0.7850 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 0.1720 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -1.4550 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 2.1020 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 1.9560 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 1.9020 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -1.4220 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 0.0370 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 0.0860 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -1.1150 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 0.5830 -1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 0.7930 -3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 -0.6960 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 -1.6440 -7.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 -1.2810 -8.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6950 1.1440 -5.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 0.7780 -4.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -0.6280 -1.6930 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1250 -1.6320 -1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9530 -0.2860 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 50 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 50 1 M END