IFLAB-ZINC04120108 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -1.7680 -5.2950 -2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -4.4480 -1.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -5.0550 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -4.2920 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -4.9170 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -6.3080 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -7.0640 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -6.4390 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -8.4190 0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -9.1360 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -4.1060 2.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -2.8960 2.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -4.7100 3.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 -6.1640 3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7060 -6.2730 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -4.8780 5.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -4.0760 4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -2.3220 4.5700 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -2.1770 6.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -0.7210 6.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -0.0700 7.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 1.2660 7.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 1.9510 7.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 1.3000 6.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 -0.0370 6.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 3.3810 7.5630 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9420 3.9550 8.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 3.9850 7.2500 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4890 -5.9640 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -4.6840 -3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -5.8830 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -3.2150 0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 -6.7960 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -7.0310 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -8.9150 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -8.8330 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -10.2060 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -6.6380 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -6.6040 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -6.8060 5.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -6.7720 4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6430 -2.6730 6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -2.6470 6.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -0.6050 7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.7740 8.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 1.8350 6.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -0.5470 5.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 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 17 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 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 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END