PUBCHEM-ZINC02872090 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -0.6400 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6880 -1.1340 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1970 -1.3210 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 -1.7940 -3.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 -1.7320 -3.6350 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -2.2850 -4.9200 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8270 -0.4230 -3.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1490 -2.8330 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -4.1570 -2.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 -5.0210 -1.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 -4.5620 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0870 -3.2380 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5180 -2.3720 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9080 -5.4870 0.3370 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0920 -6.6540 0.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 -5.0820 1.4400 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 0.3110 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 -1.3740 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 -2.0840 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -0.4000 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -0.3700 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -2.0550 -1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -2.1420 -4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0740 -4.5160 -3.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0950 -6.0560 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 -2.8780 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 -1.3370 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 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 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END