PUBCHEM-ZINC03645515 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 29 0 0 1 0 0 0 0 0999 V2000 -0.4180 2.1010 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.7180 0.1330 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1020 0.2210 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 0.8950 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 1.4030 -1.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.4730 -2.2940 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5340 0.5970 -3.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 0.0520 -4.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -0.4760 -4.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -0.3900 1.2600 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -0.2170 3.1050 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -1.5590 3.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -2.8960 3.5730 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2730 -2.8590 4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -3.9110 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -4.5860 2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 2.5860 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 2.7570 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 2.0610 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 0.0330 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 1.6560 -3.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 0.0400 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -1.2500 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -1.6220 2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.1990 -5.9140 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7040 -3.9590 4.5050 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2790 -3.3660 2.5720 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0030 -3.9530 2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -2.6170 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -4.0070 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 M CHG 1 25 -1 M CHG 1 26 -1 M CHG 1 27 1 M END