IFLAB-ZINC04553788 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.1280 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -1.4010 3.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -1.2730 4.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -1.7580 5.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 -1.8290 7.1000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5520 -0.8360 7.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -2.3280 8.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -1.6580 9.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.3190 10.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -3.5260 10.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3840 -3.8870 8.4550 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -2.9650 6.6990 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 -2.4200 5.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -4.3020 6.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -2.9460 8.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -2.1090 8.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -2.2840 9.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -3.2620 10.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -4.0340 9.5040 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -1.0550 4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -2.7510 5.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -1.0760 6.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -0.6730 9.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -1.8900 11.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 -4.1830 10.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -1.3530 7.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 -1.6730 9.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -3.5400 11.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 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 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 M END