PUBCHEM-ZINC04132212 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 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 3 0 0 0 0 0 0 0 0 0 0.1780 3.9220 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 4.0840 -1.4120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8310 5.0460 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 3.0060 -2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 2.1340 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 2.7470 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 4.1370 -1.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8540 4.8610 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 4.5320 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 4.9330 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 5.3170 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 5.3080 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 4.9070 1.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 4.5120 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 4.0610 0.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 5.8200 -0.7190 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 5.6160 0.4070 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 5.2230 -1.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5100 7.4550 -0.9740 N 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 -0.0280 2.4210 -1.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 3.4720 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 1.1400 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 2.3300 -2.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 4.9440 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3210 5.6140 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 4.9000 2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 4.0820 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 7.9400 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 7.9280 -1.2530 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END