IBS-ZINC02087551 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 0 0 0 0 0 0999 V2000 1.0600 0.4830 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 -0.5820 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.3270 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -0.6240 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 0.2970 -0.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -1.7850 0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -2.1970 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0420 -1.4150 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -1.8840 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6450 -3.1410 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 -3.9190 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -3.4680 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -4.3390 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -3.8390 1.0800 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.0310 -3.6330 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 -4.9120 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6850 -5.3810 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6950 -4.5780 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3860 -3.2840 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0550 -2.8330 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4650 -2.3890 1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6430 -2.8910 1.5850 O 0 5 0 0 0 0 0 0 0 0 0 0 -11.0430 -4.9890 0.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6300 -6.1700 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0730 -7.1130 -0.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1260 -6.2000 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8410 -7.2990 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3310 -6.3960 2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 0.4660 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 0.3120 -2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 1.4880 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -1.5580 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -1.1170 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.2880 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 0.6220 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -2.5070 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -0.4360 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1590 -1.2560 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7630 -4.8940 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 -5.5580 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8900 -6.3780 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8220 -1.8400 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6410 -4.2490 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5590 -5.2360 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4700 -8.2930 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9190 -7.2760 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6880 -7.1710 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8780 -5.5820 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3970 -6.4260 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8730 -7.3320 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -5.4810 1.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1400 -1.2280 1.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 51 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 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 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 52 2 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 14 -1 M CHG 1 22 -1 M END