IBS-ZINC05563052 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.6050 2.8140 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 1.3290 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 0.7970 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -0.5650 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -1.3950 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -0.8630 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 0.4990 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 1.0780 -2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 0.0280 -3.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 0.3820 -4.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.7180 -4.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 2.0850 -6.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 1.1150 -7.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -0.2310 -6.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -0.5880 -5.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -1.1800 -7.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.5060 -8.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 2.3180 -9.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 2.6560 -10.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 2.2080 -11.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 1.4460 -10.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 1.1020 -9.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 1.0010 -11.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 2.7980 -8.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 4.1630 -7.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 4.6060 -7.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 3.6950 -6.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 2.3350 -6.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 1.8850 -7.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 4.1360 -5.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 3.1440 -4.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 3.2930 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 3.0000 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 3.2220 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 1.4450 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -0.9810 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 -2.4590 0.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -1.5110 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 1.5840 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.7930 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 2.4700 -4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 3.1240 -6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -1.6250 -5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2640 -1.3520 -8.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0180 3.2760 -10.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 1.2480 -12.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.4430 -11.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 4.8720 -8.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 5.6640 -6.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 1.6290 -5.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 0.8270 -7.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2000 3.6290 -3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 2.4650 -5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 2.5830 -3.9870 H 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 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END