PUBCHEM-ZINC05962739 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.4060 1.7060 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 0.1980 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.3110 1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -0.5210 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -2.0270 -0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8280 -2.5580 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -2.6150 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -2.8370 -1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -2.8090 1.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -3.2610 1.3080 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0030 -4.0480 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -3.7370 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 -4.4330 3.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8820 -1.8090 1.1450 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2600 -2.5790 0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 -2.5410 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -3.1130 -1.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4560 -3.7210 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3760 -3.7610 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2820 -3.1890 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -2.2790 -1.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -2.3220 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -2.4810 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -2.4990 -0.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -2.6510 -2.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -2.8700 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -4.1740 -2.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -3.0050 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -1.6650 -3.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 2.2390 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 2.1030 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 1.9380 1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 0.0450 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -1.3650 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 0.2510 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2050 -0.2020 2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -0.3660 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.0270 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -2.6560 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5590 -2.0700 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5000 -3.0820 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3070 -4.1660 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1620 -4.2390 0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 -3.2350 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -5.0060 -2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 -4.4240 -3.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -4.1120 -1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -2.1030 -5.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -3.1760 -5.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -3.8360 -5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -1.5580 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0520 -1.7550 -3.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6090 -0.7330 -3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -3.3940 3.5680 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 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 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 12 13 2 0 0 0 0 12 54 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 54 -1 M END