PUBCHEM-ZINC04523441 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 71 0 0 1 0 0 0 0 0999 V2000 0.6230 -0.1670 -1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -1.3170 -0.9310 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2650 -2.1420 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -0.8810 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -1.0180 1.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -0.3920 -0.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 0.1220 0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0480 0.6110 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1720 1.1210 -0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 2.4140 -1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 3.2540 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 3.0140 -3.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 4.2360 -1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8380 5.0850 -2.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4080 5.2520 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2440 4.4700 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 3.3830 -3.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7930 2.9050 -3.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9320 1.9410 -4.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9450 6.4400 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 6.5830 -0.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 7.4330 -2.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 8.7860 -1.9120 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2160 8.7220 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 9.6420 -1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8030 9.3580 -2.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0620 8.7880 -3.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3840 10.5320 -2.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3860 11.2900 -3.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.0260 11.3750 -4.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7400 10.5940 -3.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5770 12.7130 -2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9730 12.8830 -1.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -1.0710 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7450 -1.8560 1.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -1.6600 1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -2.6520 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 -1.3320 -0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.4830 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 0.2130 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 0.6710 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -0.3830 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 0.6560 -1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 1.3700 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 2.9670 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 2.2130 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8950 4.4200 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5450 4.0570 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9750 5.2520 -2.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9900 3.7790 -4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7150 2.5290 -3.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1180 2.4230 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4520 3.7680 -3.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6850 2.4190 -5.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3270 1.0390 -4.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 7.2520 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0710 9.7320 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 10.6540 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 9.2060 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1410 10.9950 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4860 11.1470 -3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6760 9.5840 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1170 10.5000 -2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3470 1.5060 -4.8920 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.5160 0.9550 -5.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9920 2.3080 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6090 0.9160 -4.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2830 13.5110 -3.3250 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1630 -1.8620 -0.0720 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5200 -1.1310 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -2.2470 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -2.5970 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 69 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 42 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 64 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 68 1 0 0 0 0 34 35 1 0 0 0 0 34 38 2 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 64 65 1 0 0 0 0 64 66 1 0 0 0 0 64 67 1 0 0 0 0 69 70 1 0 0 0 0 69 71 1 0 0 0 0 69 72 1 0 0 0 0 M CHG 1 64 1 M CHG 1 68 -1 M CHG 1 69 1 M END