PUBCHEM-ZINC04774278 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.1450 1.2220 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -0.1950 -0.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -0.7950 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -0.1670 2.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -2.1350 1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -2.9160 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -4.3490 2.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9570 -4.3090 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -5.2530 3.4140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1070 -5.8990 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -6.1110 3.5040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7560 -7.1190 3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -6.2080 1.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7650 -6.9900 1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -4.9800 1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -6.5090 1.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 -5.6080 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -6.1880 1.1170 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6030 -7.5330 1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -7.7530 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -8.9370 1.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -9.9430 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7860 -9.8820 0.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -8.6640 0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7190 -8.5840 0.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -5.4270 4.2260 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4410 -4.5460 4.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -4.5980 4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.8450 -1.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -0.3640 -2.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 1.7510 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 1.3420 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 1.6800 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -2.6340 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -2.9000 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -2.4210 3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -4.5490 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -10.9380 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 -7.6760 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2180 -9.4350 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 27 28 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 26 -1 M END