IBS-ZINC06662054 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.0980 1.9270 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 0.4660 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -0.0760 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -1.4550 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -2.3480 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -1.7870 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.4200 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.2070 -2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 0.8390 -3.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -1.5530 -3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -1.8010 -4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4550 -3.1260 -5.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -4.2350 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 -5.5020 -4.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -5.6610 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -4.5600 -6.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -3.2880 -6.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -2.1600 -6.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -2.2600 -8.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 -6.4870 -4.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -7.7720 -4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -2.4880 -2.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -3.8080 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -6.1700 -0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 -6.9510 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -6.2080 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -4.7420 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -1.9530 2.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 2.3720 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 2.0810 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 2.4630 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 0.5850 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7900 -0.9790 -5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4960 -4.1180 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -6.6260 -6.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -4.7330 -7.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -2.9160 -8.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -2.5930 -8.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -1.2610 -8.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2080 -8.4270 -4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -7.7330 -5.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7120 -8.2040 -5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -4.0000 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -4.1270 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -6.3930 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 -6.2860 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -6.9060 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -8.0030 -0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -6.4310 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -6.4800 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -4.2970 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -4.1530 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -1.2250 3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -4.7350 -0.3360 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1090 -4.4060 -1.3020 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 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 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 54 1 0 0 0 0 28 53 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END