PUBCHEM-ZINC03639870 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 0.7360 1.6050 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 2.1940 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 1.4570 -2.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 1.7480 -2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 2.6800 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 2.8390 -3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4090 2.0420 -4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 1.1130 -4.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 0.9800 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.1560 -4.5580 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.4410 -3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.1760 -3.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 0.0750 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 0.9100 -2.0640 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9470 0.9170 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 1.6970 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 1.5520 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2930 0.6480 1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -0.1420 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 0.0080 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1270 -0.8350 -0.5620 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 1.7490 -3.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 1.0570 -4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 1.9260 -5.1120 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1040 3.8130 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.5360 0.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 1.7270 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 2.1080 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 2.1990 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 3.2570 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 3.2930 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 2.1470 -4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7330 0.5050 -5.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -0.9500 -3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 2.4020 -1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6380 2.1500 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8220 0.5480 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 -0.8540 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 2.7250 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 1.9660 -3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 0.0980 -4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2880 0.7050 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7250 3.3280 -1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 4.1880 -3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 4.6800 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 22 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 14 1 M CHG 1 24 -1 M END