PUBCHEM-ZINC06825377 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 0 0 0 0 0 0999 V2000 1.7250 0.3950 6.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -1.0260 5.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -1.2910 4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -2.6000 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -3.6030 4.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -3.2590 6.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1580 -2.0000 6.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -4.2260 6.8250 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5920 -5.3910 6.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -3.9310 7.8600 O 0 5 0 0 0 0 0 0 0 0 0 0 1.3670 -4.9020 4.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -5.1720 3.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -6.6540 2.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -7.4050 3.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -7.1450 1.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -8.5080 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -9.4480 2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -10.7970 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -11.2090 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 -10.2680 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 -8.9200 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 -10.6700 -1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -9.6490 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -12.5340 0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6840 -13.2520 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -11.7170 3.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -11.2220 4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 0.6270 6.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 0.5130 6.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 1.0730 5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -0.4860 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -2.8350 3.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -4.8350 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -4.6440 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -6.5540 1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -9.1270 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -8.1880 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -8.9710 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -10.1040 -3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -9.0910 -2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -14.2940 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -13.2000 1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -12.8090 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -10.6760 4.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -12.0580 5.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -10.5560 4.8450 H 0 0 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 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 26 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END