PUBCHEM-ZINC06488998 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0030 1.4950 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0350 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.5260 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5330 -1.8640 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -2.6000 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -2.4300 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 -2.7460 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -3.2490 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 -3.3620 -0.7300 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -2.7120 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1320 -2.5010 -2.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -2.8130 -3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -3.2800 -3.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -2.5850 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -2.0300 -5.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -3.0300 -5.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -4.2900 -6.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -4.2780 -7.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -5.0270 -8.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -3.0120 -7.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 -2.2570 -6.7110 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5680 -0.9900 -6.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -0.6670 -7.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7660 -2.0750 -8.6110 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -5.4640 -6.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 -3.6670 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -2.5260 2.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.8630 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.8600 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 1.8510 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.3910 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.4010 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -2.1280 -2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 -0.2770 -5.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 0.3010 -7.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -6.0760 -5.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -6.0610 -6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -5.1020 -5.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -2.8200 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 -4.4820 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 -4.0020 2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -1.5250 2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4850 -3.2660 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -2.6290 2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 21 1 M END