IFLAB-ZINC03866503 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7430 1.2670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0240 -1.8160 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 -0.3560 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -0.8730 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -0.9120 3.8030 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 0.0860 4.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.2560 4.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.3600 2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6720 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.8840 -1.1760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 0.0890 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.1520 -4.8790 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5230 0.7760 -4.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -1.0450 -5.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -0.4310 -7.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 0.4850 -7.0910 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -0.1680 -7.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 1.8730 -7.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 0.1480 -5.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -0.8060 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 0.7290 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -1.8740 3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -0.1920 4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 0.7170 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -0.8950 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 0.7040 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 0.7280 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -1.1000 -5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -2.0470 -5.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 0.2500 -7.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -1.2180 -8.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -0.7180 -5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 1.0240 -4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.8600 -3.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -1.4840 -3.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 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 37 1 0 0 0 0 21 38 1 0 0 0 0 39 40 1 0 0 0 0 M END