IBS-ZINC04994114 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 62 0 0 1 0 0 0 0 0999 V2000 0.5600 0.9560 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 0.9180 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 2.8560 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 3.2170 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 4.7010 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 5.1340 -1.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 5.4580 -1.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2430 6.2860 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3120 5.9500 -2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 5.8720 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 5.3400 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 5.1580 -2.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 6.2360 -4.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 6.4110 -3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0560 5.9750 -4.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3700 7.3780 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7500 8.4410 -1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 9.3320 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9070 9.1670 -0.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5310 8.1140 -1.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 7.2250 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8710 7.8420 -1.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7090 8.7330 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0370 4.2850 -0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 3.0620 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7610 1.9890 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 2.1230 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 3.3320 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 4.4170 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 5.6370 0.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3150 5.9200 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -0.1200 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 1.5120 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 1.1640 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 1.4420 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.1630 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.1540 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 3.3960 1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 3.0770 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 2.9950 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 2.6060 -0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 4.9370 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 5.2970 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 6.0520 -4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 8.6010 -1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 10.1640 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4700 9.8830 -0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2450 6.4070 -2.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4680 8.7210 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6530 9.7480 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7410 8.3870 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 2.9350 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6610 1.0520 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3890 1.2870 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6470 3.3940 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2890 6.9770 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2060 5.7610 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3590 5.3300 2.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 1.3710 1.1500 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2880 0.8690 0.9760 H 0 0 0 0 0 0 0 0 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 1 59 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 59 1 0 0 0 0 4 5 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 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 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 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END