CHEMSTAR-ZINC04125217 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.0130 1.4620 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.0420 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -0.7750 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -2.1520 0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.8050 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -2.0600 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -0.6840 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 0.1080 -1.7230 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.8140 -0.3020 -1.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 1.1700 -2.1840 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0820 -4.2800 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -4.8190 -1.3120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -5.0280 0.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -6.4960 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -6.9700 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -6.4240 3.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -4.9560 3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -4.4000 2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 -6.9650 3.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -6.7880 3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 -7.3230 4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 -8.0350 5.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -8.2110 5.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -7.6830 5.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -7.8770 5.3130 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3920 -8.5070 6.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -7.4070 4.5320 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.6190 -8.5600 6.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -8.3390 6.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 1.8770 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 1.8340 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 1.7620 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -0.2680 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -2.7220 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -2.5590 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -6.8020 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -6.9280 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -6.6220 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 -8.0590 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9750 -4.6360 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -4.5850 4.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -4.6340 2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -3.3200 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -6.2330 2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -7.1860 4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -8.7660 6.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2020 -7.2680 6.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2470 -8.7720 5.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6110 -8.8090 7.1180 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M CHG 1 25 1 M CHG 1 27 -1 M END