PUBCHEM-ZINC06614424 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -0.7600 1.4240 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -0.0370 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.7220 1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.4890 -0.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -1.8710 -0.9670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0720 -1.8350 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -2.4730 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 -1.6120 -1.0860 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -2.4960 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -2.3330 1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1620 -2.9980 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0200 -3.8290 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8240 -3.9850 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7800 -3.3210 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -4.8560 -1.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7970 -5.1780 -0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 -5.2240 -2.1970 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3450 -2.7890 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -2.5480 0.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -3.9530 -1.4230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -4.9030 -1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -5.6840 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -7.6230 1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 -7.9210 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5240 -6.5480 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -5.8740 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 2.0220 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 1.6710 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 1.6620 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 0.1740 -1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -2.4390 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -3.5290 -0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4670 -1.6780 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.8600 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 -4.3390 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -3.4370 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -4.1440 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -4.3460 -1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -5.5910 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 -6.3220 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3940 -5.0330 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 -7.1620 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -8.4860 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -8.5790 0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -8.3970 2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -6.5930 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 -5.9880 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -6.0250 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -4.8070 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -6.5930 0.1680 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.7170 -7.1240 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 18 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 34 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 50 1 M END