PUBCHEM-ZINC04714864 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 1 0 0 0 0 0999 V2000 -2.6170 1.6960 1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4270 0.1800 1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -0.4400 0.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -1.7960 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -2.4620 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -3.8380 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -4.5560 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -3.8880 1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -2.5110 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -5.9500 0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4920 -6.6010 -0.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6370 -7.6790 -0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -6.2900 0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -6.0860 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -5.2580 -2.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -6.5470 -1.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -6.1550 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -5.6950 -4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -5.3090 -5.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7310 -5.3800 -5.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -5.8380 -4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -6.2200 -3.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -6.7130 -2.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -5.9130 -4.9460 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5920 -5.0380 -5.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -6.8500 -4.5290 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.1490 -6.8660 0.2580 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -8.0860 0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0400 -6.0240 0.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 -7.1290 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 2.1690 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 2.0690 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 1.9300 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.0540 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 -0.1930 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1540 -1.9030 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0220 -4.3560 -1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 -4.4460 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 -1.9920 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -6.7960 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -5.2140 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -6.6370 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -7.1500 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -5.6390 -3.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 -4.9510 -6.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -5.0780 -6.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2750 -7.7750 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 -6.1600 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -6.5600 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -7.5130 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -7.8490 -1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -6.1840 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END