PUBCHEM-ZINC06856992 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 41 0 0 1 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2950 -2.5070 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -2.6830 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -2.1950 -2.3430 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -2.8960 -2.8690 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9240 -2.5390 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -4.4230 -2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -4.8390 -1.4270 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3760 -4.3240 -0.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -5.7000 -1.2120 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4270 -2.4680 -4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 -1.7350 -4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 -1.3420 -5.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9650 -1.6820 -6.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -2.4180 -6.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.8040 -5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2300 -1.2970 -8.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 -1.6830 -9.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -2.6670 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -1.8860 2.3310 O 0 0 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 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -3.7700 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -2.2630 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0180 -4.8440 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -4.7800 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2450 -1.4710 -3.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -0.7700 -6.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -2.6840 -7.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -3.3720 -5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -1.3120 -10.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -1.2610 -8.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 -2.7700 -9.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -3.9870 1.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -4.2650 2.5710 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 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END