NCID-ZINC04514020 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 1 0 0 0 0 0999 V2000 0.3190 0.9900 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.2850 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9690 -1.2770 0.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -0.9950 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -1.8860 1.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 0.3260 1.4280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 1.2560 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 2.5440 1.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -2.6470 0.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3680 -3.3490 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -2.7860 -1.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4460 -1.8840 -1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -3.9410 -1.5850 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3520 -4.9010 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -3.7640 -0.5220 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5430 -4.7350 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -3.0200 0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -3.0020 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -2.7540 0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -2.5670 0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -3.8690 -2.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 -4.3990 -4.0790 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -3.6920 -3.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -3.7820 -5.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -3.8080 -6.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -3.9200 -7.8270 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3630 -4.5290 -7.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -4.4700 -9.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3800 -5.5580 -9.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -3.9950 -10.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4560 -4.6770 -10.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -2.6450 -9.6750 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2480 -2.6430 -9.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -2.6220 -8.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -1.3920 -10.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -0.8190 -9.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 0.3230 -10.6290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 0.4970 -11.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -0.5510 -11.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 -0.6900 -11.5230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 0.3400 -12.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 1.4180 -12.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 1.5170 -12.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 2.6100 -12.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -3.8670 -11.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5720 -3.8980 -9.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -3.7730 -10.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -3.0430 -1.7310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -3.2830 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 1.7960 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.5730 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 3.3430 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 2.7020 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -2.0290 -1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -3.5690 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -2.8890 -6.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -4.6710 -6.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -1.2860 -9.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 0.3000 -12.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 2.6860 -12.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 3.3040 -13.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -5.9040 -4.1110 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 51 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 48 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 62 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 34 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 45 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 2 0 0 0 0 36 58 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 38 43 2 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 59 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 60 1 0 0 0 0 44 61 1 0 0 0 0 46 47 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 45 -1 M CHG 1 62 -1 M END