PUBCHEM-ZINC02972710 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.3530 1.9890 -1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 0.5640 -1.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.1320 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -1.5190 -1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 -2.2260 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 -1.5500 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7910 -0.1620 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 0.5440 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -2.2660 -0.5620 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 -1.3580 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3770 -2.1740 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 -4.0400 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1530 -3.2230 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8210 -3.8840 -1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.7820 -4.4450 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9990 -4.8520 -2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2060 -5.6560 -2.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8770 -6.4880 -3.3430 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.0210 -7.1160 -2.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0050 -5.5180 -4.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6260 -7.7240 -3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9830 -2.9240 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0300 -3.1260 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0770 -2.2180 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0440 -1.1500 -1.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0320 -0.9900 -1.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0160 -1.8300 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 2.4190 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 2.2910 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 2.3430 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -2.0450 -1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -3.3060 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7290 0.3650 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 1.6240 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9460 -0.6670 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2200 -0.7950 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2770 -2.7160 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2350 -1.5050 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5840 -4.7310 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -4.6030 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -2.6820 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 -3.8930 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0960 -4.2880 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 -5.5090 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6120 -5.7000 -1.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4340 -8.3700 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9870 -8.3250 -4.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7030 -7.2200 -4.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0290 -3.9700 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9090 -2.3430 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8560 -0.4380 -1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2020 -1.6640 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5710 -3.1320 -1.2900 N 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 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 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 12 53 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 14 53 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 M END