PUBCHEM-ZINC05742496 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 3.4450 1.1020 -5.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.3400 -5.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6620 -0.8060 -4.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -0.0340 -3.5970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -2.2910 -4.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -2.5990 -2.6590 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 -2.2660 -2.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -4.3580 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 -5.0600 -3.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -6.4400 -3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -7.1180 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 -6.4170 -1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -5.0370 -1.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 -4.2870 -1.3480 N 0 3 0 0 0 0 0 0 0 0 0 0 4.6100 -4.8870 -0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -3.0690 -1.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4110 -8.5960 -2.3330 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4820 -9.2140 -2.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3150 -9.1940 -1.7780 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4410 1.5110 -5.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 1.5360 -4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 1.3440 -6.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -2.7480 -5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -2.7230 -4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -4.5290 -3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -6.9870 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -6.9480 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 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 11 12 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M CHG 1 17 1 M CHG 1 19 -1 M END