PUBCHEM-ZINC00918137 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 0.1080 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -0.5160 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 -1.9060 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -2.6630 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0170 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 -4.1240 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8110 -4.6970 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -3.8930 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 -4.4280 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -2.5500 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7140 -2.0270 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -6.1990 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0880 -6.6830 1.3800 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4120 -6.7130 2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -7.9920 1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9760 -9.1250 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6410 -10.2800 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4160 -10.2640 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 -9.1680 0.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -8.0500 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 -7.1950 2.2260 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 -8.0780 3.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -7.5720 1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -5.7930 3.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 -5.4860 4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -4.3860 5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -3.5930 4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -3.9020 3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -5.0040 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.4150 5.0960 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9110 -2.1430 6.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.7170 4.5540 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 1.1870 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0720 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -2.5940 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6900 -4.7330 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8150 -6.4860 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -6.6380 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -6.6610 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 -5.8620 1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3630 -9.1080 3.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 -11.1810 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9380 -11.1590 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 -7.1700 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -6.1040 4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -4.1450 5.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -3.2820 2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -5.2470 1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 23 50 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 M CHG 1 33 1 M CHG 1 35 -1 M END