PUBCHEM-ZINC05794719 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.1670 1.7030 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 0.2050 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -0.3510 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -1.7250 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -2.5430 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -1.9860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -0.6120 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -4.2940 0.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -4.8200 -0.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -4.5480 1.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -4.8070 0.1860 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -4.6530 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 -5.5060 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -6.1770 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5690 -5.5230 -2.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6620 -6.3970 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8600 -6.0230 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9370 -6.8880 -2.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8230 -8.1250 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6310 -8.5000 -1.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 -7.6420 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9790 -9.0490 -1.9520 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.0300 -8.7200 -2.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8800 -10.1390 -1.4170 O 0 5 0 0 0 0 0 0 0 0 0 0 0.8550 2.0800 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 1.9590 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 2.1530 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 0.2870 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3060 -2.1600 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.6250 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -0.1780 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -5.2100 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -3.6080 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -4.9660 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -4.9300 -2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 -5.0580 -3.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 -6.5980 -3.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 -9.4660 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -7.9380 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 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 30 1 0 0 0 0 7 31 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 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END