NIH-ZINC06530603 MOE2007 3D CORINA 3.40 0006 02.08.2006 75 79 0 0 1 0 0 0 0 0999 V2000 1.1270 0.6810 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -0.6760 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -0.6640 0.6370 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4600 0.0780 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -2.0010 1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9180 -2.9860 0.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -4.0000 0.9500 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -3.6520 2.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -2.3980 2.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -1.6880 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -0.8290 3.8010 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5070 -0.3450 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 0.2260 4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3470 0.4790 5.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 -0.9110 5.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -1.6350 4.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -0.8130 -1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -0.9840 -3.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -2.2240 -5.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -3.1440 -6.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -2.5250 -6.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -2.2590 -6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -1.2910 -4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 1.2420 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 1.6370 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 2.8410 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 3.1690 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 4.3720 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 4.6800 2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7210 3.7800 2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6190 2.5840 2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 2.2570 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 1.0960 0.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 0.8390 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 -0.3760 -0.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7730 5.9830 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1940 0.6060 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 1.0470 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 1.4230 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -1.3860 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -1.0530 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -2.4390 4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -1.0700 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 -0.1760 5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4440 1.1220 4.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 0.9400 6.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 1.1320 4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 -1.4410 6.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0190 -0.8990 5.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -1.7960 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.1460 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7520 -1.4710 -2.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -0.0240 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -1.2740 -5.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -2.7110 -4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -4.1060 -5.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -3.3470 -7.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -3.2020 -5.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -1.8140 -6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -1.1350 -4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2870 -0.3340 -5.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 1.4620 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0790 1.8040 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 3.5320 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 5.0770 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6420 4.0020 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 1.8950 2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 -0.6680 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 6.7530 2.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 5.8840 4.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 6.3110 3.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -0.2400 -0.7490 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5590 -0.6930 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2170 -1.8780 -4.2580 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9480 -2.7740 -3.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 72 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 72 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 74 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 74 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 74 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 72 1 0 0 0 0 25 26 1 0 0 0 0 25 34 2 0 0 0 0 26 27 2 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 36 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 72 73 1 0 0 0 0 74 75 1 0 0 0 0 M CHG 1 72 1 M CHG 1 74 1 M END