PUBCHEM-ZINC00469330 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 2.4140 1.2710 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -0.0800 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -0.6740 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 0.0630 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.4100 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 2.0250 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 3.4040 -0.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 4.2420 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 3.7270 0.4550 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 5.5990 0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 6.7270 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 7.8120 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 7.0840 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 6.0200 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 9.4160 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 10.2600 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 10.2260 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 10.8730 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -2.4250 0.3750 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -2.8370 -0.9930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -2.9920 0.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -2.4590 1.3650 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.2550 -2.0030 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 1.7090 1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 -0.6570 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -0.4020 -1.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 1.9650 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 3.8420 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 7.1390 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 6.4040 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9800 8.6910 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 7.4410 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 6.6880 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 7.4640 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 5.1790 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 6.4380 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 9.0410 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 10.0030 -1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 11.2930 -1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 9.8410 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 8.2510 -0.6460 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7800 8.6830 0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 41 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 22 -1 M CHG 1 41 1 M END