PUBCHEM-ZINC04840113 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.0520 2.9220 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 1.7810 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 1.9700 1.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 0.8550 2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -0.5310 1.6010 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 0.5130 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 0.0450 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 0.0350 -1.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -1.1690 -1.7740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9800 -1.8680 -1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -0.7880 -1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 -2.0290 -1.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -2.5980 -3.2540 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -4.0130 -3.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -1.9680 -4.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -1.8320 -3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.1340 -2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 1.9870 -2.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 1.3010 -2.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 2.3550 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5190 2.5060 -2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 1.6150 -3.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 0.5680 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1540 0.4020 -3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 1.7830 -3.4240 N 0 3 0 0 0 0 0 0 0 0 0 0 8.2400 2.7040 -2.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2270 1.0010 -4.1480 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0110 3.3060 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 2.5690 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 3.7170 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 2.9460 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 0.8100 3.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -0.9620 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 0.7210 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 0.0600 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.5400 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -1.7470 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 -2.7940 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -2.5940 -3.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 -1.0810 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 3.0520 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 3.3210 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 -0.1230 -4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -0.4180 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 39 1 0 0 0 0 16 40 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 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 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 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END