IFLAB-ZINC00075249 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 0.1090 0.8360 2.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.5510 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -1.6350 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -2.9070 1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -3.0950 0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -2.0110 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.7380 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -4.4810 -0.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1670 -5.2120 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -4.5920 -1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -5.9710 -1.5620 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2540 -6.8980 -0.7790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -6.1900 -2.7460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2280 -4.7490 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -5.5340 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -5.5320 -1.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 -4.7430 -2.4060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -4.2740 -2.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -3.4760 -2.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4980 -4.4870 -3.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -4.3610 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5770 -4.1100 -4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -3.9830 -5.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -4.1080 -5.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -4.3660 -4.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -6.2600 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 1.0510 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.5620 1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5860 0.8960 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -1.4880 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -3.7540 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -2.1580 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 0.1090 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 -4.3120 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -3.9240 -1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -2.5420 -2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 -4.4590 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -4.0110 -4.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -3.7870 -6.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -4.0090 -6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -4.4680 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9480 -7.2630 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -6.3290 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -5.7150 1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END