IFLAB-ZINC04063049 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 0.0400 1.1830 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.1960 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.8410 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -0.0870 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 1.2970 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 1.9300 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 2.0570 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6980 1.6160 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 0.5220 1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 2.4610 0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 2.9390 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 3.7280 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 4.0440 0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 3.5730 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 2.7890 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 2.2910 3.2050 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3390 2.4760 4.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7440 1.6960 3.1450 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4010 4.3230 -1.7970 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -2.3180 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -3.1020 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.4260 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -5.4860 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -6.7810 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 -7.0190 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3570 -6.0240 -0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -4.7540 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -3.2550 -0.0990 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 1.6800 -0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -0.7760 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -0.5810 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.0080 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 2.9020 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 2.6920 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 4.6620 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 3.8230 3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -5.2830 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -7.6080 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -8.0360 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END