PUBCHEM-ZINC02880001 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.7690 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.1290 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.4480 -0.7460 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7350 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.1800 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 1.0260 -2.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.0060 -3.5520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -0.4510 -4.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -1.5930 -5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -1.0230 -7.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -0.7440 -7.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.2210 -9.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 0.0240 -9.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -0.2560 -9.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 -0.7830 -7.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.0950 1.9160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -4.4000 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -4.7270 0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -5.4350 2.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -6.7880 2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -7.7480 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -7.3730 4.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -6.0340 4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -5.0640 3.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -8.4100 5.6690 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1860 -9.5890 5.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -8.0830 6.8420 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0290 -0.1850 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 0.0430 3.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 0.0990 3.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.6760 4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -1.9670 -3.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 0.1500 -5.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 0.1740 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -2.1940 -5.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9420 -2.2180 -5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -0.9350 -7.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -0.0030 -9.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 0.4330 -10.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -0.0640 -9.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -1.0040 -7.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.8350 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -7.0820 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -8.7950 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -5.7490 6.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -4.0190 4.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 0.8550 4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 1.6190 4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.0140 5.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 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 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END