IFLAB-ZINC04167076 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 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 -1.1990 -0.6370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -2.0260 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -2.6710 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9280 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 -0.5320 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.1060 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -2.6160 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -3.8310 0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 -1.8970 0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 -2.5800 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5150 -1.5420 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8490 -2.2440 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7710 -2.0050 1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1760 -3.0140 0.6860 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.3550 -3.6750 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1790 -3.1240 -0.8300 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9130 -4.6880 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1930 -5.2010 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7080 -6.1460 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9580 -6.5850 -3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6890 -6.0800 -3.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1640 -5.1300 -2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5270 -7.6180 -4.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2130 -6.9780 -5.3480 F 0 0 0 0 0 0 0 0 0 0 0 0 -12.4860 -8.3860 -4.8450 F 0 0 0 0 0 0 0 0 0 0 0 0 -14.4080 -8.4490 -3.6110 F 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 -0.3350 -2.5990 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -3.7500 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 0.0460 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 1.1850 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 -0.9280 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4830 -3.1990 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4650 -3.2090 0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4250 -0.9230 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -0.9120 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6720 -1.3130 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7790 -4.8590 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6980 -6.5440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1080 -6.4270 -4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1750 -4.7340 -2.9130 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 33 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 34 1 0 0 0 0 8 35 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 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END