PUBCHEM-ZINC04212489 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -0.2370 1.5120 -0.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 0.1980 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -0.5330 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 0.0450 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 1.3670 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 2.0950 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -0.7320 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -0.7360 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -1.5330 -1.6090 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3650 -2.5020 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -1.6980 -3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8170 -0.8360 -3.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6190 -1.5730 -0.1920 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8620 -2.3810 -0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 -0.6580 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 -1.4200 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2310 -2.4560 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1300 -3.4160 1.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4890 -4.7830 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4870 -5.0020 3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1040 -4.6720 3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 -3.2440 3.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6120 -3.1800 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 -2.9450 1.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -2.1300 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 -1.8250 1.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2580 -2.1360 4.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2060 -0.9530 3.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 2.0810 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -0.2560 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -1.5550 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 1.8370 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 3.1190 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0590 -0.2950 0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -1.7590 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 -1.1610 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 0.2970 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9450 0.0560 -0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6680 -0.0620 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 -1.9190 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9610 -0.6930 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1990 -2.9620 1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2550 -1.9650 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7650 -5.4680 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 -5.0660 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7290 -6.0480 3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2510 -4.3830 3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 -5.3710 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -4.8400 4.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 -2.6270 -3.7410 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5540 -0.7300 -0.8750 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9940 -0.2360 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -0.0490 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7000 -2.5310 5.3280 O 0 5 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 51 1 0 0 0 0 11 12 2 0 0 0 0 11 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 13 51 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M CHG 1 50 -1 M CHG 1 51 1 M CHG 1 54 -1 M END