IFLAB-ZINC05268133 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.8180 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -4.7570 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3880 -3.9550 -0.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -6.0780 -0.1940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0530 -6.5210 -0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -7.8380 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -8.0090 -0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -6.8610 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -5.5020 -0.4600 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -8.9550 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -8.7360 -0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -10.2250 -0.3260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 -11.3410 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -3.0120 -2.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -2.2170 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.7630 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 -4.6500 0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -4.6420 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 -6.7190 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 -8.9740 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 -6.7730 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8830 -10.4000 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -11.2880 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -11.2810 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -12.2830 -0.2950 H 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 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 8 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 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