PUBCHEM-ZINC06017692 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 0.2840 1.2110 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -0.2030 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.7120 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.0550 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -0.5530 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -1.9530 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -2.7280 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.1100 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -2.8710 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -3.1690 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -4.0840 -0.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -4.7240 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0170 -2.6280 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4760 -2.3930 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4880 -1.5300 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4790 -0.0970 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6110 0.7020 0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6250 2.0230 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5300 2.5530 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 1.7850 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3440 0.4520 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 -0.3900 -0.2260 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0980 -0.6280 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 0.3190 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5590 3.8510 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6940 2.8500 0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 1.4350 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 1.6540 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 1.6510 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 1.1390 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 -3.7310 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 -3.7980 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -2.2610 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -5.1110 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 -5.5810 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -4.0720 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -2.9520 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -3.4900 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3950 -3.3800 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7280 -2.5120 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4850 -1.9640 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2700 -1.5420 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4680 0.2790 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5790 2.2460 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 0.6620 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 1.2060 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4370 4.1790 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3830 2.3550 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1270 -1.7320 0.4970 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9300 -1.5470 1.4890 H 0 0 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END