IFLAB-ZINC04061747 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 1 0 0 0 0 0999 V2000 0.4670 -0.1060 -1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 0.2290 -0.1610 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1020 1.3220 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -0.3000 0.1980 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0260 0.1170 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -1.8120 0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -2.5100 -0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -3.9220 -0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2490 -4.2670 0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.8960 1.0490 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -0.4270 2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 0.1850 3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 1.6310 3.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 2.3980 2.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 1.7930 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 2.2420 4.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 3.3580 3.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4210 3.9760 4.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9530 3.4960 5.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 2.3890 5.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2470 1.7760 5.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0350 4.1870 5.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6100 3.7340 6.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -0.1890 0.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -0.0190 2.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.4000 2.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -0.4520 2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 0.5000 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.1350 2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 0.3850 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -1.1820 -1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 0.2360 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9740 -2.0330 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -4.6490 -1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -5.2620 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 -1.4680 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -0.3710 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -0.3420 3.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 0.0000 4.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 3.4550 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 2.3780 3.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 1.8530 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 2.3190 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 3.7590 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 4.8360 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7270 1.9780 6.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7990 0.9330 5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4560 4.3870 7.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9950 2.7140 6.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8940 3.8080 7.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -0.6170 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -1.4930 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 1.5040 3.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 0.0920 4.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6750 -0.5180 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 0.9050 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 0.3130 1.5180 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0480 0.2790 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 57 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 57 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 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 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 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END