PUBCHEM-ZINC06757690 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.7010 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.1450 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.7040 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -1.2570 -3.7400 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -0.4340 -2.3570 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.8920 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.7340 -4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5310 -1.6750 -4.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 -1.1540 -4.4960 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9600 -1.7030 -4.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0560 -0.9920 -4.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9110 0.3330 -5.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 0.8890 -5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 0.1120 -4.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 0.4020 -4.7790 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7970 1.2490 -4.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1250 -3.1350 -4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.5230 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.0180 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -2.8280 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -2.3120 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -2.3230 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -0.2440 -4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -1.9290 -4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -2.6820 -3.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0330 -1.4520 -4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7690 0.9120 -5.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 1.9130 -5.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3010 -3.1660 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9730 -3.5800 -4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 -3.6940 -4.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 M CHG 1 12 1 M END