PUBCHEM-ZINC05408164 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.2970 1.6480 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 0.1420 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -0.1410 1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 -0.3860 -0.2140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9530 0.1060 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.2630 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.3790 -2.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -1.8940 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 -2.5680 1.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -4.0110 0.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -1.9020 2.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -2.1150 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -2.7600 -0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 -2.4300 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 -1.4750 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9870 -0.8560 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -1.1630 0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0390 0.3690 1.0250 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.2630 1.0910 2.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6810 1.0860 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3020 -0.5130 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 -1.0760 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9950 -1.7440 3.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2860 -1.8360 3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5850 -1.2620 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5920 -0.5960 1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 2.0200 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 1.8810 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 2.2070 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -0.3670 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -1.2150 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 0.2590 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 0.3190 2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -2.2830 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -3.4980 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8630 -2.9110 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3320 -1.2170 -1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 -0.6670 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0000 -0.9960 3.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7690 -2.1880 4.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0630 -2.3520 3.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5940 -1.3310 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8340 -0.1470 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 0.8660 -2.0840 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 44 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 M CHG 1 44 -1 M END