PUBCHEM-ZINC06016128 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 0 0 0 0 0999 V2000 4.6600 -0.8870 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -1.9050 -1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4180 -3.0800 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -3.3190 0.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -4.1330 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -4.7110 -0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7660 -4.2870 2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -5.0500 2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -5.7070 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -7.0130 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -7.6240 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2600 -6.9470 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -5.6500 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -5.0270 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -7.5550 -1.9980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -6.8020 -3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -7.6450 -4.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -7.8980 -3.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -8.6400 -4.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 -8.9240 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -9.6770 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 -10.1480 -6.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1060 -9.8660 -6.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -9.1080 -5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2610 -10.9550 -7.2760 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.4140 -11.2040 -6.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -11.3710 -8.3260 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6150 -3.2480 3.2670 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -2.7190 2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 -1.6430 2.4200 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 -0.8900 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2770 -0.0470 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 -1.9020 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -3.9660 -0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -2.8660 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -5.1730 3.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -7.5410 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -8.6320 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -5.1280 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -4.0170 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -5.8950 -3.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -6.5340 -3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -7.1060 -5.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -8.5920 -4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5480 -8.5570 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 -9.8980 -4.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -10.2350 -7.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -8.8850 -6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 36 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 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 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 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 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 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END