IFLAB-ZINC04166798 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -3.8930 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -4.4440 1.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -4.7110 3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -6.4720 3.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -7.1720 4.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -8.5700 4.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5850 -9.0650 5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 -8.2050 6.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 -6.9080 6.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -6.3940 5.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -10.4300 5.7110 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -10.7220 4.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -9.6220 3.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -11.3550 6.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -12.5620 6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -13.4730 7.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -13.1810 8.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -11.9740 8.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2830 -11.0650 7.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -14.0770 9.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9290 -13.7110 9.9060 C 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -2.0380 2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -2.0640 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -4.4640 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -4.4900 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -6.2390 7.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -12.7900 6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -14.4120 7.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 -11.7460 8.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7870 -10.1280 7.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2420 -14.5130 10.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6990 -13.5440 9.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 -12.7970 10.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 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 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END