PUBCHEM-ZINC05768216 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 0.0670 1.5460 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 0.0380 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.3770 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 0.4160 0.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7030 -1.7450 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 -2.3750 0.3410 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7510 -1.7820 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -2.4470 1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 -1.8310 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -1.9090 3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -2.6000 4.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -3.2150 4.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -3.1390 2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -3.7780 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9340 -4.3480 -0.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -4.3260 -0.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0440 -3.8200 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 -5.6260 -1.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6740 -6.3480 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9010 -6.2230 -0.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.9550 -7.3110 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -5.7590 -2.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -5.4910 -2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -5.1320 -3.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5470 -5.5880 -2.7270 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.5420 -4.6250 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4060 -5.5090 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -5.2640 -0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.2000 -6.7780 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3400 -4.2960 -1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0590 -6.6330 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 -7.7670 -3.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 1.8070 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 2.0010 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 1.9900 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.3830 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.3940 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 -2.3620 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -1.2850 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -1.4270 4.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 -2.6580 5.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1840 -3.7550 4.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -3.6280 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5620 -7.6680 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7060 -6.6900 -0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9840 -6.9620 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0680 -4.3880 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9050 -4.1990 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7890 -3.3620 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0200 -6.2320 -4.4520 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