PUBCHEM-ZINC06519738 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 1.2910 0.4570 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 1.0530 0.2650 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8410 0.8580 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 1.4650 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 2.9630 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5030 3.1570 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 2.4870 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 0.4030 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 1.0890 -2.1780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6370 1.1940 -2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 0.2990 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 1.2500 -4.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 2.4010 -3.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2170 3.3660 -4.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 2.3900 -2.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 1.0150 -5.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 1.5780 -6.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 2.2890 -6.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 2.9540 -7.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 3.5240 -6.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 3.2370 -5.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 2.5050 -5.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 3.6780 -4.4920 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5840 4.3960 -4.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 3.3520 -3.2270 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0160 -0.5940 1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3700 0.5410 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.9820 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 1.3460 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.2080 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 1.3210 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 0.9780 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 3.4590 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 3.3890 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 4.2220 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 2.7050 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 2.6240 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 2.9400 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 0.4830 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -0.6490 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3410 -0.5820 -3.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 0.0140 -3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.4770 -7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 2.9840 -8.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 4.0960 -7.3650 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 7 1 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 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 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 2 1 M CHG 1 23 1 M CHG 1 25 -1 M END