PUBCHEM-ZINC05598804 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -1.1020 1.0020 -5.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -0.1600 -4.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 0.0690 -3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -0.9970 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -2.2920 -3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 -2.5210 -4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -1.4550 -5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -3.6510 -2.0090 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -4.7880 -2.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -3.2050 -1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -3.9260 -0.9710 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -4.3050 -1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -3.4670 -1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 -3.8450 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5270 -5.0570 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -5.8940 -2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 -5.5190 -2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -6.4130 -2.3040 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9080 -7.0590 -3.3290 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -6.5020 -1.4210 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.0000 -2.1460 -0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 1.2710 -6.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 0.7210 -6.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 1.8540 -4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 1.0800 -3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -0.8180 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -3.5330 -4.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -1.6340 -6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -3.8230 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2380 -3.1940 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4910 -5.3510 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -6.8400 -3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7410 -1.3730 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 -1.8860 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -2.2250 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 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 21 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END