IFLAB-ZINC04376897 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3740 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 1.2350 -0.5510 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 0.7270 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.9570 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.9990 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -2.4430 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -3.7710 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -4.6970 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 -6.0160 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -6.3900 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -5.3420 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -4.2340 -0.0250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -2.8620 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7640 -5.3680 -0.0050 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -7.1410 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 -7.3330 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3760 -6.3690 0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1600 -8.5770 0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6140 -8.7630 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 -10.2590 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4400 -10.7520 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4630 -10.4800 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7080 -11.7080 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3000 -12.0830 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -10.8630 1.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.9420 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -0.5990 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 3.0230 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6740 -1.7230 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -4.1140 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7290 -7.6010 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -7.6080 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -9.3480 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 -8.3040 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -8.2960 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9940 -9.6090 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 -10.6940 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 -11.4440 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 -12.5280 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 -12.4190 2.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8610 -12.8570 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 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 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END