PUBCHEM-ZINC06266859 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -1.1870 1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.1910 2.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -0.6550 3.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -0.3540 4.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -0.8420 5.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -1.6290 5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -2.0840 6.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -1.7600 8.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -0.9780 8.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.5140 7.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -0.6370 9.7100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0590 0.0490 9.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -1.0420 10.6950 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.6080 -2.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -0.3360 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.0940 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -1.1520 -4.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -0.0480 -5.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -0.0980 -6.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -1.2580 -6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -2.3640 -6.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -2.3110 -4.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -1.3100 -7.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -2.5360 -8.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.3560 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 0.2550 4.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -1.8820 4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9270 -2.6920 6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 0.0980 7.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 -0.6950 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.4090 -3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -2.0890 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 0.8550 -5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 0.7650 -7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -3.2680 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -3.1740 -4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2370 -2.7580 -7.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -2.4420 -8.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -3.3430 -8.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -2.2100 9.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -1.6130 9.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 38 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 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END