PUBCHEM-ZINC03874329 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.3150 1.4390 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -0.0460 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.7400 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -0.4100 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 -1.6110 3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -2.6340 2.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -2.1930 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.9040 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3370 -2.2430 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -0.8520 -1.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.4210 -2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -2.9630 -2.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 0.9270 3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 1.3800 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 2.7770 4.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 2.9840 5.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 4.2820 6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 5.3870 5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 5.1890 3.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 3.8910 3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 6.7470 5.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 6.9320 6.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 7.7020 5.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 9.1190 5.5250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4580 9.2030 6.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 9.9980 4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 9.7440 5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 10.6970 4.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 11.5140 3.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 9.6720 5.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 9.0240 4.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 1.8220 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 1.7480 -1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 1.8980 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -1.7310 4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -3.9670 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -2.5400 -3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 1.6550 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 0.9000 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 0.6830 4.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 1.3500 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 2.1410 6.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 4.4290 7.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 6.0290 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1220 3.7580 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 7.4810 4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 11.0560 4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 9.8420 3.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 8.7270 4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 9.8190 6.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 10.5410 4.9260 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4300 10.6590 5.8220 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 M CHG 1 51 -1 M CHG 1 52 -1 M END