IFLAB-ZINC02476185 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.7130 1.5520 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 0.0820 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -0.4490 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -1.8150 1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.6690 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -2.1440 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -0.7710 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -3.0310 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 -4.0190 0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -4.5900 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -6.0850 1.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4960 -6.2540 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -6.8270 2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -9.2430 3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -8.8500 4.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -9.1990 4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -10.6590 2.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -11.6410 3.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -12.5000 3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -6.6960 0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -6.1020 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 2.0670 -0.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 1.7400 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 1.9800 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 0.1990 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -2.1720 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -0.3600 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -3.8220 -2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 -2.4710 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -3.4830 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -4.1450 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -4.4390 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 -6.7250 2.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -6.5060 3.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -7.8830 4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -8.7940 3.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -9.5830 4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -9.9220 5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 -9.4340 3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -8.2130 4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -10.6860 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -10.9360 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -8.2810 2.3040 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1680 -8.2280 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -8.6370 1.7060 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 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 43 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 43 1 M END