PUBCHEM-ZINC05513412 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.4020 -1.7390 0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -2.0880 -0.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -1.7120 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -2.0200 -2.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 -1.6420 -3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -0.9440 -2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -0.6360 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -1.0150 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -0.5380 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 0.0410 -3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 0.5140 -4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 0.4290 -4.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4510 1.0420 -5.9600 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 1.1060 -6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 1.7470 -7.6250 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 0.4070 -4.8180 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5600 1.5100 -6.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.5150 -6.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 2.0190 -8.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 1.1310 -9.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 1.6120 -10.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 2.9720 -10.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 3.8570 -9.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.3890 -8.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 5.3100 -9.9350 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8060 5.7240 -11.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 6.0910 -9.0890 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3140 -2.1980 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -0.6550 0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -2.0970 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -2.5580 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.8820 -4.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -0.0980 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -0.7750 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8510 -0.7010 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0690 -8.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.9260 -11.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 3.3430 -11.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 4.0810 -7.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 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 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END