PUBCHEM-ZINC03873182 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 72 0 0 1 0 0 0 0 0999 V2000 0.1510 2.8060 -1.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 1.5570 -2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 0.3910 -2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 0.5200 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 1.7550 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 2.9190 -1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 1.5050 -1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 0.1390 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -0.4410 -1.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -1.4320 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 2.5350 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 2.9790 0.8050 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4940 2.8570 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9390 4.4490 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 4.8000 0.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 5.2930 1.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 6.7480 1.5090 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1020 6.9890 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 7.5150 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 7.3780 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 8.2300 -2.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 8.1560 -3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 7.2310 2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 6.3620 2.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 2.2610 1.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 1.2270 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 0.7140 2.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 0.7460 3.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0250 0.5200 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 1.8180 4.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4930 1.5970 5.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7020 2.8170 6.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9340 2.6720 7.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 3.7010 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 1.4850 -2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -0.5800 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 3.8990 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -0.4710 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 2.1490 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 3.3950 -1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 4.9500 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 7.1690 -0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 8.5820 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5780 7.6950 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6400 6.3320 -1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 7.8860 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9850 9.2730 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 8.5730 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1890 7.1360 -3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 2.5940 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3960 2.7970 4.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 1.8940 5.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 0.7000 6.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 1.4400 4.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 3.7170 5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8130 2.9620 7.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8320 1.8490 8.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8460 2.5400 6.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 8.9680 -4.3800 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1800 8.9630 -5.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 9.9470 -4.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 8.5910 -4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3290 8.3900 3.0940 O 0 5 0 0 0 0 0 0 0 0 0 0 9.1110 3.9130 8.0840 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9370 3.8550 8.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 4.1050 8.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 4.7360 7.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 -0.5360 4.1380 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2320 -0.9010 4.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5130 -1.2680 3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -0.3890 4.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 63 1 0 0 0 0 25 26 1 0 0 0 0 25 50 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 30 1 0 0 0 0 28 68 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 33 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 64 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 59 62 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 68 69 1 0 0 0 0 68 70 1 0 0 0 0 68 71 1 0 0 0 0 M CHG 1 59 1 M CHG 1 63 -1 M CHG 1 64 1 M CHG 1 68 1 M END