PUBCHEM-ZINC03766479 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -1.8350 0.5940 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -0.1130 0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -0.5980 1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -1.2320 1.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -1.7820 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6030 -1.6990 3.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -1.0720 3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -0.5200 2.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -2.3290 4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0800 -1.6730 5.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -2.2550 6.4910 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8040 -2.7770 6.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -1.0930 7.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 0.1090 6.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 1.2350 6.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -0.2020 5.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 0.6640 4.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 -1.1810 8.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 -1.1480 7.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3150 -1.1740 8.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 -1.5730 9.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2920 -2.6230 10.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8280 -2.9550 11.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -3.1760 7.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -4.4900 7.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0330 -5.3540 8.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -4.9170 9.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -3.6140 9.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 -2.7480 8.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -3.7060 4.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 1.4770 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 0.9380 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 -0.0610 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 -1.3060 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -2.2840 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -1.0070 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 -0.0430 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -0.3210 8.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 -2.0850 8.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1590 -2.0300 7.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 -0.2440 7.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6090 -0.1930 8.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -1.9430 7.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0610 -1.9270 9.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1020 -0.7340 10.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -4.8580 7.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -6.3710 8.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -5.5910 9.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -3.2740 9.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -1.7360 8.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6310 -4.1220 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 -1.1470 8.9700 N 0 3 0 0 0 0 0 0 0 0 0 0 7.7320 -1.9880 9.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -0.3450 9.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 34 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 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END