PUBCHEM-ZINC01123979 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7430 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -0.9120 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -1.6840 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -1.8500 3.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -2.8430 3.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7450 -2.5670 4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5620 -1.4340 4.6440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -1.0140 4.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9770 -3.3950 4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0840 -2.9840 4.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 -3.7570 4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2740 -4.9400 4.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1770 -5.3520 3.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0310 -4.5840 3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7150 -5.9080 4.0930 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8240 -1.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.1160 -1.1610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 0.0550 -2.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -1.0600 -1.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -2.1920 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -2.3770 -1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 -1.4290 -2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -0.2980 -3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.1150 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7340 -1.6260 -3.0350 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3330 -2.6240 -2.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -0.7920 -3.7200 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -1.7250 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -0.1920 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 0.0700 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -1.4630 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -2.6650 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -1.1320 3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0480 -2.0620 5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0860 -3.4400 5.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2180 -6.2760 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1770 -4.9040 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -2.9320 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2120 -3.2610 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 0.4430 -3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.7680 -3.0100 H 0 0 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 18 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END