IFLAB-ZINC04325745 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6180 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -2.0050 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -2.6320 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -1.8700 3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.4750 3.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 0.1440 2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 -2.5370 4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 -3.7510 4.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 -1.8000 5.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -2.4260 6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 -1.8160 7.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9210 -2.5660 8.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -2.1400 9.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -3.0570 10.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0060 -4.4260 10.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3450 -4.8590 8.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 -3.9380 8.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9120 -4.1680 6.5260 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 -5.1130 11.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7530 -4.1670 12.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8200 -2.8940 11.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -2.5930 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -3.7100 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 0.1180 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 1.2220 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 -0.8320 5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -1.0840 9.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2480 -5.9170 8.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 -4.2080 12.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6700 -4.3550 12.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 M END