PUBCHEM-ZINC05709925 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.1760 1.5590 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.0640 0.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3080 -0.4990 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -0.2020 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -0.6050 1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 0.0090 -0.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 -0.2500 -0.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 0.0630 -1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -0.9240 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -0.6420 -3.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 0.6310 -4.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 1.6250 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 1.3340 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3430 2.7780 -3.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 2.3740 -4.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6620 1.1610 -5.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -0.3480 1.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 -0.7720 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4360 -0.7960 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -1.2060 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 -1.1780 3.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -1.5800 4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3020 -2.0180 4.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -2.0490 3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -1.6510 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2380 -2.5150 2.8990 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9440 -1.9790 2.0640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -3.4340 3.5670 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0660 -2.4250 5.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 1.7520 -0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 1.8690 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 2.1220 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 0.3320 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9570 -1.2980 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 0.3800 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -1.9170 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -1.4150 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 2.1020 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 2.1790 -4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2950 3.1340 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -0.8390 3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -1.5580 5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -1.6780 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -2.5130 6.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 -2.6220 5.3550 H 0 0 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 17 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 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 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END