IBS-ZINC05051572 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 1.6850 1.7740 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 0.2920 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 0.2370 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0240 -0.1130 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -1.7810 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 -2.3660 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -3.8850 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -4.4540 2.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 -4.9940 3.3200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8480 -5.8320 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -5.4660 4.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -5.1950 3.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4520 -4.5720 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2460 -4.2190 1.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9440 -5.4320 3.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 -6.0460 5.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -6.3190 6.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -6.3660 6.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -7.0280 5.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -7.3260 5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -6.9740 7.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -6.3170 7.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -6.0170 7.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -5.9740 9.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -6.3200 9.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -3.9190 4.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -4.0460 4.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 -3.0510 4.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -1.9600 5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -1.9010 5.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -2.8690 4.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 1.8730 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 2.2280 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 2.2780 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 0.1930 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -0.2110 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 -0.1840 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 1.3210 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 0.3890 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 -1.1910 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 0.2150 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -2.0450 -0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.1860 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -1.9360 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8340 -2.1300 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3920 -4.3070 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -4.1200 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 -6.7240 7.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -7.3040 4.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -7.8360 5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -7.2100 7.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -5.5100 7.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 -5.9900 10.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -5.8330 8.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -7.4010 9.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -4.9100 3.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -3.1240 4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -1.1660 5.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -1.0550 5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.3190 0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 60 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 13 14 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 M END