IFLAB-ZINC04854022 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 1.0870 -0.6790 -0.6380 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 -1.2000 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -0.0400 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -0.6850 0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -1.9270 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -2.5250 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -1.8800 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6290 0.0350 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8810 -3.6220 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -2.7420 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -3.5300 2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -3.2880 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7380 -2.3590 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 -2.0210 1.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -1.0590 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5340 -0.6410 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9700 -1.8400 -0.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -2.2920 -2.2470 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.9120 -1.1160 -2.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3750 -3.0840 -2.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8200 -3.3650 -2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1000 -2.8420 -2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1890 -3.6830 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9970 -5.0490 -1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7150 -5.5710 -1.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6280 -4.7290 -1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0610 -5.8710 -1.6750 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -0.0660 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -1.6350 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -0.8520 -1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 0.9300 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -0.2200 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6610 -3.4950 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -2.3460 -1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2020 -4.2220 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7040 -3.7590 4.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4940 -1.9550 3.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2720 -1.5200 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5470 -0.1810 1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1900 -0.1270 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 0.0260 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2490 -1.7770 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1880 -3.2750 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 -6.6360 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6280 -5.1360 -1.9720 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 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 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 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END