NIH-ZINC06529342 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 67 0 0 1 0 0 0 0 0999 V2000 0.9080 0.2900 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -0.7650 -1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -1.5760 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -1.4520 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -2.3490 2.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -3.3800 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -3.5220 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -2.6090 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -4.6040 -0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3020 -4.4490 -1.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -5.7900 0.2990 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -6.9790 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 -6.7790 -0.5590 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.4060 -6.0760 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -8.0590 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3400 -9.2940 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 -10.4290 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3960 -10.2980 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8860 -9.1310 0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0860 -8.0480 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 -5.3090 -2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 -4.4060 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 -5.1820 -4.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -5.9360 -4.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -6.8600 -3.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7410 -5.1870 -5.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1840 -3.9640 -6.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9110 -3.9070 -7.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2180 -5.0800 -8.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8080 -6.3100 -7.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0810 -6.3770 -6.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6950 -7.5600 -5.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 -8.7730 -6.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2450 0.8310 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 0.9990 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -0.1020 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -0.6680 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -2.2370 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -4.0370 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 -2.7010 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -5.8810 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -7.3910 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4280 -7.6960 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -9.3950 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -11.3920 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0600 -11.1520 -0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5290 -7.1360 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6140 -4.7070 -1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2310 -6.0700 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 -3.9690 -3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7120 -3.5800 -3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -6.5180 -5.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -5.2230 -4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -7.6150 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -7.3410 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9320 -3.0300 -5.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 -2.9480 -7.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7810 -5.0410 -9.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0800 -7.2000 -8.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6370 -8.8700 -7.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -9.6010 -5.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1820 -8.8560 -6.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 -6.0440 -1.9020 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3860 -5.2890 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 63 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 63 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 63 64 1 0 0 0 0 M CHG 1 63 1 M END