PUBCHEM-ZINC01063471 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 1.3120 2.0760 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 0.5600 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 0.0620 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -0.0520 -0.6670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -0.7800 -1.2610 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -1.1140 -2.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 0.0170 -0.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -2.2870 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -3.3030 -0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -4.5010 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -4.6830 1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -3.6530 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.4540 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -5.8640 1.8170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -7.0510 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -7.2710 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6050 -8.1160 2.7000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4580 -7.6670 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -9.3320 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 -10.4400 3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -10.8790 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 -9.7030 3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -8.5400 2.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2520 -8.8520 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1320 -7.4410 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -6.3560 3.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 2.4260 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 2.4070 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 2.5680 1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 0.2730 1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 0.3220 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -1.0290 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.4950 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 0.0600 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -3.1730 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -5.2790 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -3.7910 2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -1.6730 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -5.8630 2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -9.0220 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -9.7340 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -10.0890 4.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 -11.2970 3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7510 -11.6490 4.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -11.3340 2.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -9.3510 4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 -10.0630 3.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -7.7300 2.5930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 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 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 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 M CHG 1 48 -1 M END