IBS-ZINC02069187 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.0400 1.5390 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.0320 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.6840 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.0680 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.6610 0.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -1.9480 -0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6230 -0.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -2.6010 -2.0920 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -4.2200 -2.1750 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -4.5790 -3.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -4.8440 -1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -4.4250 -1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -4.3780 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2490 -4.5380 -2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -4.7470 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5920 -4.7930 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -4.6370 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9280 -4.9090 -0.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 -5.7530 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -6.3140 1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6790 -5.9950 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5230 -4.9240 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8490 -5.1570 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3420 -6.4500 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5100 -7.5160 1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1840 -7.2960 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2970 -8.4380 0.3820 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7060 -9.5790 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -8.2370 -0.0020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9800 1.9220 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.9030 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 1.8810 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.1740 2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6550 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.1110 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -4.2150 -3.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 -4.5010 -3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -4.9550 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -4.6780 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6200 -4.4140 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1400 -3.9140 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5040 -4.3290 1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3810 -6.6270 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9010 -8.5230 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 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 18 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END