PUBCHEM-ZINC02779033 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.2560 1.3860 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.0560 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -0.5220 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.2220 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 1.5520 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 2.1280 -1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 3.5250 -1.7830 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3840 3.9980 -1.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 4.1500 -2.0410 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3110 -2.1920 0.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -2.3240 0.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -2.4970 0.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -3.1160 -1.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 -3.0360 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -4.3010 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -4.4720 -3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -3.2070 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -5.7260 -4.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -5.8270 -5.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -6.9140 -5.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -7.0550 -6.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 -6.1170 -7.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -5.0330 -7.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -4.8880 -6.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -3.5170 -7.0320 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -6.2610 -8.6230 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.8280 -1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.5090 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -0.2150 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 2.1240 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -2.1450 -2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 -2.9710 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -4.2280 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -5.1990 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -5.3770 -2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -4.5060 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -3.2690 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -2.3160 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -6.5880 -4.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -5.7150 -5.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -7.6670 -4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -7.8970 -6.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -4.3180 -8.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 -4.4860 -3.9680 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0260 -3.6830 -4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 44 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 44 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 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 44 1 M END