PUBCHEM-ZINC06172914 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 0.0870 1.5560 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 0.0670 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.3630 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -1.8580 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -2.2630 2.5890 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2840 -2.7010 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.8760 4.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -3.3450 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -3.6220 6.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 -3.4370 5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -2.9700 4.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -2.6740 4.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -2.7420 4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2670 -2.2620 2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5940 -1.8540 1.7920 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 -3.5120 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -3.4270 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 -3.2800 -1.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2380 -3.5180 0.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4370 -3.4750 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5680 -3.5640 0.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6310 -3.4860 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2740 -3.3550 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5630 -3.3080 -1.7460 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0060 -3.5650 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2630 -4.1410 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5680 -4.2340 1.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6330 -3.7470 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3940 -3.1650 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0890 -3.0720 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -4.2180 7.8650 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -3.9800 8.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -3.3440 8.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -5.7500 7.6560 N 0 5 0 0 0 0 0 0 0 0 0 0 0.6000 -6.2140 7.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 2.1450 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 1.8420 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 1.8200 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 -0.4920 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0630 -0.1680 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 0.2020 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.1200 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -2.4390 1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 -2.1270 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 -2.6620 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4440 -3.5010 5.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -3.6410 6.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 -4.1960 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -3.9010 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3590 -3.6230 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8950 -3.2940 -2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4460 -4.5290 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7510 -4.6860 2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6470 -3.8170 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2240 -2.7790 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9400 -2.5970 -1.5160 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 39 1 0 0 0 0 2 40 1 0 0 0 0 3 4 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 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 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 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 5 1 M CHG 1 34 -1 M END