PUBCHEM-ZINC06485377 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 35 0 0 1 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.4360 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -1.9590 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3690 -2.3740 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -2.3170 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 -2.9660 0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -2.5110 1.2570 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.4940 -3.9740 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -4.5110 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -5.9740 2.6260 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.5000 -6.5260 3.8730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5560 -6.2660 3.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -8.0480 3.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -8.7520 2.5420 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -10.5330 2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -5.9510 5.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -5.1630 4.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -0.0280 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -0.0190 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -4.2470 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -4.4030 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -4.2370 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -4.0810 3.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -8.4500 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -8.3080 3.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6340 -11.0660 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -10.8730 3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -10.7310 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0810 -1.9160 -1.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -6.3160 6.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -5.9200 7.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -2.1700 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 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 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 8 -1 M CHG 1 11 -1 M END