IFLAB-ZINC05251386 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 0 0 0 0 0 0999 V2000 -0.0040 1.5040 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.0260 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -0.5490 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -0.5070 -1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.0900 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -0.5510 -2.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -0.2960 -2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 0.3160 -1.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8840 -0.7660 -3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2680 -1.3780 -4.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 -0.5100 -3.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8730 -1.0480 -5.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4110 -2.2120 -5.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 -2.7400 -6.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2150 -2.1120 -7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 -0.9540 -6.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0080 -0.4170 -5.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 0.8260 -4.9470 N 0 3 0 0 0 0 0 0 0 0 0 0 9.4410 1.4270 -5.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 1.2470 -3.9370 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0200 1.8770 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5310 1.8780 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 1.8470 0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.4000 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -0.1750 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6390 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -0.2060 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6550 -1.5930 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.0620 -2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 0.9960 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -0.5360 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -1.0400 -3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 0.0470 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5270 -2.7020 -5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7240 -3.6450 -7.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7390 -2.5280 -8.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5620 -0.4660 -7.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 33 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 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END