IBS-ZINC05164941 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 62 0 0 1 0 0 0 0 0999 V2000 1.2040 1.6450 1.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 0.4480 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 -0.2410 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -0.8380 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -2.0070 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -2.5940 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -4.0420 1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -4.5520 2.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 -5.8450 2.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -6.7280 1.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -7.9740 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -8.3260 3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -7.3960 4.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -6.1430 4.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -7.6440 5.5400 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -6.6370 6.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -7.3080 6.7380 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3590 -7.7250 5.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 -8.4610 7.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4890 -9.4780 6.9520 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0710 -9.9220 6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -8.7830 6.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -10.6040 7.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -6.2850 7.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -9.6000 3.3660 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9240 -9.6100 3.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -10.6030 3.3480 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2780 -8.8380 1.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 1.3440 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 2.3690 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 2.1570 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 0.7200 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.0160 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -0.6060 -0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 0.8480 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -1.9310 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -0.4700 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -0.5550 0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -1.9490 -0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -2.6180 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -1.9860 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -2.5640 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -4.6530 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6630 -4.0770 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 -3.9860 3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -5.8820 5.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -6.1090 6.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2910 -8.9610 8.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 -8.0660 8.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -8.4110 7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -9.5050 5.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 -10.2230 8.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -11.3460 7.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9550 -11.1180 8.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 -5.8350 8.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5460 -6.7550 7.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 -5.4800 6.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 -8.4570 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5020 -9.8230 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -0.5920 1.0050 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1170 -0.5780 2.0150 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 32 1 0 0 0 0 2 33 1 0 0 0 0 2 60 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 60 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 60 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 60 61 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 60 1 M END