IBS-ZINC04755996 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 -3.4670 -0.3240 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -1.2840 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -1.4360 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.3050 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -3.0320 -0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -2.8660 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -1.9920 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -3.9720 -0.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -3.9120 0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -5.0300 -1.5440 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1790 -5.6210 -1.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -7.1120 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 -7.8520 -2.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -7.4460 -1.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -6.2850 -1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8080 -6.3600 -1.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -6.3350 0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -6.4250 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3830 -6.4760 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -6.4360 2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5870 -6.3410 1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -6.2900 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -6.5080 4.0880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6460 -6.5850 5.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -6.5020 4.1450 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3890 -8.8260 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 -9.6210 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -11.8980 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -11.5440 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -5.0170 -2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 0.6680 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3940 -0.6610 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6650 -0.2490 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.8770 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -2.4130 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -3.3820 -2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -1.8630 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 -6.4440 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -6.5380 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -6.3030 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -6.2120 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -8.8220 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -9.2960 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 -9.8850 -0.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -9.0390 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -12.1310 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -11.4530 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -12.7960 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -10.8190 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -11.8130 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -12.4290 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -4.5960 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -10.9120 0.1100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5740 -10.6710 0.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 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 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 30 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 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 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 53 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 53 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 53 1 M END