PUBCHEM-ZINC05529463 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 0.2060 1.5360 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 0.0080 -0.1760 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6270 -0.4090 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.4780 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 0.1750 2.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 -0.0210 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8560 0.1000 3.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2270 -0.0720 3.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -0.3640 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 -0.4860 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -0.3160 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.4530 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -1.1240 -1.3680 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -1.4650 -2.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -2.0680 -0.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 0.1490 -2.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1560 1.3430 -1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9090 2.3420 -2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4570 2.1470 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2510 0.9530 -3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -0.0440 -3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 -1.3200 -4.0890 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.6400 -1.4460 -5.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -2.2450 -3.5240 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8820 0.0460 4.7450 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 1.8730 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 1.8760 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 1.9480 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -1.5620 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -0.1970 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -0.2750 3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 1.2420 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 0.3280 4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -0.4960 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -0.7140 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 1.4960 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 3.2740 -1.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 2.9270 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 0.8000 -4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END