PUBCHEM-ZINC06471093 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 0.5780 2.0030 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 0.6320 -0.1410 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1300 0.8090 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.2210 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -1.2560 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -0.0390 -1.2590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -0.9800 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -1.5780 -1.7830 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0240 -1.6490 -3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2340 -1.4430 -3.2230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -2.1250 -4.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -1.3850 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -1.5290 -3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -2.9600 -1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -3.7510 -1.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 -3.3710 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.6930 0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -5.1630 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -5.8370 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 -6.0200 1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -5.5110 2.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -4.9660 2.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9440 -6.6580 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4790 -6.6770 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3620 -7.0850 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -6.2940 -0.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -6.1260 -1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0400 -5.2890 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6290 -7.6970 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 1.9200 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 2.5960 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 2.5590 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -0.9190 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -3.2050 -4.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.9440 -5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -1.7730 -5.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -0.3220 -4.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -0.9730 -3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -2.5760 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -2.5810 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -3.4540 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -5.4690 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 -4.5820 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 -7.6830 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6400 -6.1330 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1010 -8.1420 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 -6.9650 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 -4.5070 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 -5.2950 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8490 -4.9940 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4400 -7.4420 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0480 -7.7310 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2840 -8.7070 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 0.2110 2.0710 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 54 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 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 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 54 -1 M END