PUBCHEM-ZINC03124309 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.2610 1.6800 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1810 0.1520 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5010 -0.3940 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -1.7410 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -2.4300 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -2.3140 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -3.8020 0.0080 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.6310 -4.3800 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -4.2930 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -4.5160 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9060 -4.9010 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -5.0630 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -4.8400 -3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -4.4500 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -5.0140 -5.0460 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8220 -5.3540 -6.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -4.8170 -5.1230 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6570 -4.2770 1.2570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0900 -3.8580 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -2.6850 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -2.2620 4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -3.0070 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5060 -4.1770 4.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -4.6070 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -2.5510 6.0510 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7010 -1.5200 6.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -3.2070 6.5670 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7460 2.0970 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 2.0340 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 1.9980 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -0.1650 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -0.2010 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 -4.3890 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 -5.0760 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -5.3650 -4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -4.2720 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -2.1020 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2810 -1.3480 4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -4.7570 4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -5.5240 2.5470 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 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 25 1 M CHG 1 27 -1 M END