IFLAB-ZINC00629645 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -0.8320 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 0.0610 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6790 -2.1210 0.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 -1.0640 -1.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 0.0340 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 1.0580 -1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 2.1450 -2.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1980 2.2210 -4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 1.1990 -4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 0.1000 -3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 1.2790 -5.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0880 2.2420 -6.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 1.9430 -7.9410 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2480 2.5530 -9.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 2.0100 -10.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 0.8380 -9.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.2720 -8.6130 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 0.7970 -7.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 0.4100 -6.4450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -1.9620 -1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8580 1.0030 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 2.9390 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 3.0730 -4.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -0.6960 -4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7530 3.0840 -6.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 3.4560 -9.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 2.4760 -11.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 0.3990 -10.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 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 11 1 0 0 0 0 10 31 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 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 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M END