PUBCHEM-ZINC04546317 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 46 0 0 1 0 0 0 0 0999 V2000 1.7920 0.2560 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -1.0340 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -1.4300 1.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -1.6810 -1.2080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -2.9610 -1.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3310 -3.2080 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -4.0530 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -3.9760 -1.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -2.9620 -2.6230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0100 -3.9830 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -2.0140 -2.4850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4830 -0.9890 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 -2.0910 -3.7530 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2090 -3.0810 -3.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -1.0280 -3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -1.0780 -5.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -0.3720 -5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.9240 -4.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -1.6740 -5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -2.4120 -1.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -1.3500 -0.4030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8580 -1.0600 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -1.8640 0.7590 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2390 -2.7380 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -0.7390 1.7880 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0620 -0.7310 2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0020 0.6100 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 0.8090 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4360 -0.2070 -1.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 2.2280 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 3.1940 0.0170 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1060 -1.0230 2.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -2.3090 0.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -2.0680 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -2.5900 -3.7570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -2.3330 -4.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 0.1840 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 1.0620 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 0.4790 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -1.2920 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -5.0040 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6280 -1.2140 -3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -0.0250 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 1.4590 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -0.2440 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1790 2.2500 -2.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 33 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 46 2 0 0 0 0 32 45 1 0 0 0 0 33 34 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 31 -1 M END