PUBCHEM-ZINC05768214 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.4060 1.3820 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.1100 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.4320 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 0.4180 -0.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -1.7860 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 -2.3310 0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5110 -1.6890 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -2.3980 -1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7660 -1.6930 -1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -1.7980 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8680 -2.6040 -3.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 -3.3000 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -3.1990 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -3.7320 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -4.3360 0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -4.2540 1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -3.6620 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -5.6670 1.4200 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6480 -5.9770 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -6.0800 1.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9980 -6.7900 2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -6.6980 0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3770 -6.6790 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -7.1310 -0.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 -7.0090 -0.4520 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.6370 -6.7070 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0060 -6.1020 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 -4.8630 1.2770 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7140 -5.3070 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0390 -6.8240 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2800 -8.4950 -0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8950 -9.2220 0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4810 1.5750 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 1.8130 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 1.9050 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.6110 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -0.5200 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -2.4530 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2040 -1.0600 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -1.2580 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 -2.6930 -4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2660 -3.9330 -4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -3.7650 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2320 -5.9830 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4660 -4.6230 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0080 -4.7140 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5680 -7.3920 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7440 -6.1180 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6390 -7.5240 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 -8.8030 -1.5270 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 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 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 M CHG 1 50 -1 M END