IBS-ZINC02103739 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0100 1.5250 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.0040 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7430 -0.5100 1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -2.0400 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3940 -2.0660 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -0.5370 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -3.9590 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -4.3660 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 -3.5250 1.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 -5.6660 1.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 -6.7150 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -7.8340 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -7.9160 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -9.1190 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -9.7100 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5790 -10.8770 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -11.4510 -1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -10.8880 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -9.7020 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -8.8980 0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -9.0560 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4500 -6.9130 1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 -6.0740 2.2410 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8300 -6.6700 3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -4.8500 2.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 -4.4170 1.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 -4.2400 3.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5520 -3.0660 3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 1.9040 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8850 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8780 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3580 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7780 -0.1700 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.1240 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -2.4260 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -2.4030 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -2.4480 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -2.4520 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.1510 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9350 -0.2160 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -4.2640 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -4.4410 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 -6.3120 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -7.0870 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -9.2700 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -11.3630 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2450 -12.3710 -2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -11.3450 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -6.2610 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3390 -7.4370 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5900 -3.3390 3.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 -2.6720 4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2400 -2.3060 3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -2.5000 1.2900 N 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 6 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 54 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 54 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 7 54 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 2 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 M END