PUBCHEM-ZINC06910084 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 0.4840 1.6690 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 0.1470 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -0.5420 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.3590 0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1130 -1.4560 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 0.1400 -1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 1.0610 -1.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -0.4960 -2.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -0.1810 -3.6340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2630 0.9090 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -0.7200 -3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.8140 -4.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -1.6260 -4.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 0.1000 1.2330 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 -0.5780 2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 -1.6360 2.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 0.0610 3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5480 1.1070 3.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 1.3700 4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 2.2970 5.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 2.2840 6.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 1.3820 7.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 0.4550 6.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 0.4660 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -0.3090 4.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -1.3640 5.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2790 3.1630 6.9480 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 1.9860 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 2.1900 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 2.0080 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.1110 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -1.6310 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 -0.2750 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -0.2460 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -1.2350 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -0.4730 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -1.8110 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 -0.3020 -2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 0.9720 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8180 1.6320 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5170 3.0120 4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0830 1.4010 8.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -0.2480 7.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -1.1770 5.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -1.3740 6.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -2.3200 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -0.4420 -5.9710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 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 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 40 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 27 1 0 0 0 0 22 23 2 0 0 0 0 22 42 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 25 26 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 1 47 -1 M END