IFLAB-ZINC04087191 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 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 -1.4000 -1.9640 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.3930 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -1.8070 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 -0.8120 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7930 -0.3780 -2.2510 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -1.5490 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -2.2400 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7760 -3.3140 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3550 -3.0540 1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7060 -4.5890 -0.2190 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1290 -1.7700 -1.9250 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6840 -1.0320 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 -0.1710 -3.4650 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0760 -1.2660 -3.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7480 -0.5860 -4.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0450 -1.0120 -4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4240 -2.0050 -3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1460 -2.4720 -2.6000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -0.1660 -1.2340 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -2.2160 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -2.4820 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8900 -3.4800 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -2.0160 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 -4.7960 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 -5.2990 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6510 -2.4560 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3050 0.2060 -4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7100 -0.5760 -5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4060 -2.4540 -3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5080 -0.5370 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 0.9160 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.5120 0.0120 N 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 25 1 0 0 0 0 2 26 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 M END