PUBCHEM-ZINC03145421 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7000 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0770 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7740 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0640 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0790 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5360 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -4.8580 -1.9060 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -4.7360 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -4.4660 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -4.3720 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -4.5450 -2.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -4.8130 -3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 -4.9150 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -5.2060 -4.6540 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7390 -5.3740 -5.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -5.2980 -4.4020 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9580 -4.4410 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -4.0820 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.8190 2.4820 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0680 -2.1610 3.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.1360 2.4800 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1610 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.5950 -2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2780 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -0.5100 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.0230 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -4.3300 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 -4.9460 -4.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 -5.4230 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -4.0750 -4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4200 -3.7480 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 -5.0190 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8570 -3.5370 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5140 -3.4780 0.3800 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 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 16 2 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 22 1 M CHG 1 24 -1 M END