PUBCHEM-ZINC02824644 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2060 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.0310 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4210 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9390 -0.8270 -0.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 0.5180 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -0.0710 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5510 1.0150 -0.0630 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8680 0.7320 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2420 -0.4260 -0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8510 1.8180 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1690 1.5340 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1560 2.6260 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5240 2.3360 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4430 3.3640 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0150 4.6800 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6630 4.9750 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7310 3.9580 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0080 5.7770 -0.1070 N 0 3 0 0 0 0 0 0 0 0 0 0 16.1990 5.5210 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6340 6.9360 -0.0970 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 1.9770 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 1.1370 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 1.1280 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7130 -0.6900 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -0.6810 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2530 1.9380 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5200 2.8460 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 0.5060 -0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8600 1.3090 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 3.1410 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 6.0040 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6770 4.1900 -0.0870 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 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END