PUBCHEM-ZINC04534080 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 63 0 0 1 0 0 0 0 0999 V2000 1.8000 1.0790 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.3550 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6610 -0.8450 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -0.4850 0.4850 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4130 -0.0470 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -1.9610 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -2.4950 1.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -2.6270 -0.7050 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -4.0390 -0.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5470 -4.2350 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -4.9260 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -4.3080 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -3.5490 -3.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -5.4700 -2.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 -6.0230 -4.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -7.2110 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -7.8280 -5.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -7.2510 -6.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -6.0690 -6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -5.4600 -5.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -7.8880 -7.9500 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9840 -8.9330 -8.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -7.3470 -8.8980 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0660 0.1720 1.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 1.4560 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 2.1690 0.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 1.9600 2.4900 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1450 1.2070 2.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 2.2540 3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 3.1630 2.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 3.6900 2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 3.2290 3.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 4.9430 1.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9840 5.7000 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 4.6210 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 1.1240 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 1.4500 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 1.7620 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -0.9820 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -0.2420 2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -1.8890 2.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 -0.7860 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -2.1440 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -4.7350 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -5.9870 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -4.7450 -0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -5.9860 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -7.6730 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -8.7480 -5.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -5.6050 -7.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -4.5440 -5.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -0.3860 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 2.9950 3.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 2.6490 4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 1.3500 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 3.5820 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 3.8600 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 5.5140 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 4.2310 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 5.5450 2.9070 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3020 6.3370 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 5.8590 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 4.8200 3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 47 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 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 60 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60 63 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 60 1 M END