PUBCHEM-ZINC06406938 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 63 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -4.7830 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -5.0650 -1.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -5.5200 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -5.5050 0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -5.0760 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -4.9050 2.7590 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 -5.4680 3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -5.4060 5.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -5.0190 5.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -5.7800 5.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 -5.7230 7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4340 -6.0610 8.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0800 -5.9490 9.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -5.4820 9.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -5.2060 8.0660 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -5.2560 10.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7360 -5.4890 11.9810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -4.7890 10.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 -4.5920 12.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -6.3040 10.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3130 -5.8780 -1.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 -5.7830 -2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 -6.1010 -3.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -5.3440 -3.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 -4.9810 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -4.5860 -2.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 -5.2580 -4.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -6.3600 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -4.8250 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 -6.4940 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -6.0890 5.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -3.8710 12.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -5.5400 12.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -4.2150 12.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 -7.3530 10.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -5.6800 11.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 -6.1340 10.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -5.5890 -5.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5030 -4.2270 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -5.8960 -5.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2830 -5.5160 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -7.0580 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -6.8660 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 2 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 M END