PUBCHEM-ZINC04534316 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 47 0 0 1 0 0 0 0 0999 V2000 -0.0300 1.4490 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.0640 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -0.5980 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -2.1180 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -2.7250 -2.9660 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -4.5030 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 -5.3910 -3.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7310 -5.1950 -4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -6.8460 -3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 -7.5060 -2.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -7.2990 -3.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -8.6200 -3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 -8.7930 -3.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -7.8000 -3.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -5.2680 -3.9460 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 -4.5750 -5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -3.9610 -5.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7830 -4.6370 -5.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 -4.1940 -6.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 -4.2900 -6.3790 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2530 -5.2750 -6.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 -3.9700 -7.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4160 -3.0510 -7.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 1.9360 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 1.7600 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.8080 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.3440 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -0.5190 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 -0.3060 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -0.1310 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -2.4090 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0560 -2.5850 -1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -4.6370 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -4.7960 -2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -6.7450 -3.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -9.3690 -3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -8.7510 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 -5.7620 -3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 -3.9970 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 -5.6650 -4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -4.8200 -7.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -3.1680 -6.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -9.8850 -2.9810 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1620 -4.6010 -8.7670 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5010 -3.2870 -5.4110 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0160 -3.7000 -4.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 -2.5300 -5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2130 -2.8410 -6.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 45 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 43 -1 M CHG 1 44 -1 M CHG 1 45 1 M END