PUBCHEM-ZINC03833854 MOE2007 3D CORINA 3.40 0006 02.08.2006 82 86 0 0 1 0 0 0 0 0999 V2000 -0.3250 1.4840 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 0.0600 1.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -0.7880 1.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -0.3710 3.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -2.2240 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.7060 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -4.0480 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -4.9160 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -4.4450 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -3.1040 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -5.3970 3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -5.6460 2.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.7450 3.3060 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1420 -5.3110 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4830 -3.6560 2.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9690 -2.8130 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 -4.1050 1.1440 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5790 -3.2410 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -5.1610 0.2630 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6160 -4.9030 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7580 -6.4740 0.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 -6.9750 1.9400 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -7.2800 1.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -7.9080 2.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8770 -7.3590 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -7.0410 1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 -7.5470 2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1670 -7.2550 3.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1960 -6.4580 3.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1510 -5.9530 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 -6.2480 0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 -5.1860 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 -6.0880 -1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 -6.2280 -3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5390 -7.0870 -4.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -7.2270 -5.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 -6.5120 -5.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 -5.6560 -4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2770 -5.5070 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 -4.6500 1.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -3.2180 1.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 -4.0900 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -5.0870 5.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -4.6680 6.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -5.5830 7.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -5.1560 9.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -3.8170 9.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -2.9030 8.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0870 -3.3250 7.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 1.9020 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 2.0070 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 1.6030 2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -0.2720 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -2.0300 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -4.4220 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -5.9650 0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -2.7370 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -4.9610 4.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -6.3380 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -8.3960 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -7.2110 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2890 -8.1700 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2020 -7.6500 4.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0340 -6.2300 3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9550 -5.3300 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0460 -5.8570 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -4.1850 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 -5.5160 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -7.6450 -3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -7.8960 -6.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 -6.6230 -6.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6510 -5.0990 -5.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -4.8340 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -4.0230 2.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 -2.5250 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5460 -3.3440 4.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -3.6080 4.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -6.6290 7.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 -5.8670 9.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.4850 10.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -1.8580 8.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -2.6100 6.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 2 3 1 0 0 0 0 2 53 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 55 1 0 0 0 0 8 9 2 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 57 1 0 0 0 0 11 12 1 0 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 25 26 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 29 30 2 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 35 69 1 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 37 38 2 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 40 74 1 0 0 0 0 41 75 1 0 0 0 0 42 43 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 49 2 0 0 0 0 45 46 2 0 0 0 0 45 78 1 0 0 0 0 46 47 1 0 0 0 0 46 79 1 0 0 0 0 47 48 2 0 0 0 0 47 80 1 0 0 0 0 48 49 1 0 0 0 0 48 81 1 0 0 0 0 49 82 1 0 0 0 0 M END