IFLAB-ZINC04327159 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3850 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.6670 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 0.0010 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.3290 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 2.0620 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 2.0360 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 3.3450 -0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 3.6190 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 2.4930 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 1.4590 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 0.1370 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6460 -0.1290 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5960 0.9110 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1880 2.2080 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1900 -1.8050 -0.0480 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -2.7380 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9340 -4.2150 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0840 -4.6000 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -5.1070 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 -6.4700 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3080 -7.4090 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -8.6530 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 -8.7700 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -7.1500 -0.0570 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9240 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5610 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -1.7470 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 3.1420 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6510 0.6780 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9120 3.0090 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 -2.4850 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0520 -2.4830 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0050 -4.7990 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0870 -9.5060 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 -9.6970 -0.0500 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 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 34 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 M END