NIH-ZINC04039838 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 -0.7280 -5.7770 7.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -5.4080 5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -5.1910 5.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 -4.8460 3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -4.7240 3.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -4.6410 3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -4.2640 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -4.1780 1.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2570 -4.4790 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -4.7830 3.9330 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -5.0650 4.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 -4.4920 3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 -3.7390 0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8150 -4.5920 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9330 -3.9730 -0.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.3400 -3.1190 0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9160 -5.0530 -0.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 -6.2210 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8750 -7.3290 0.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0240 -5.8930 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 -6.8130 1.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3150 -4.9060 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6000 -5.2420 -2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1550 -4.2200 -4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6580 -3.7940 -2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 -3.6000 -1.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 -4.2560 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 -3.9200 -3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -2.9460 -4.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0520 -2.2970 -3.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3030 -2.6080 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3920 -2.0420 -1.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0620 -0.7210 -1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9160 -1.4080 -4.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5840 -0.9460 -5.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 -2.6800 0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -3.9880 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 -5.9540 7.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -4.9790 7.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -6.6800 7.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -4.4920 5.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -6.2240 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0340 -5.4970 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 -4.1860 4.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2840 -3.8010 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8900 -5.6080 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6330 -3.9000 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6810 -5.4910 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2950 -6.0840 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7520 -5.0870 -4.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1060 -4.3620 -4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5360 -3.3050 -4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6670 -3.6000 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2710 -4.6670 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0110 -2.9090 -3.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9590 -5.0400 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -4.4340 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7670 -2.7400 -5.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8720 -0.3820 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 -0.7140 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9900 -0.0230 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3120 -0.1770 -6.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5910 -0.4860 -5.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6620 -1.7550 -6.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 -7.6510 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -3.8980 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -3.0540 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -4.8000 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2440 -4.0660 -2.9440 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.6870 -3.2220 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 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 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 36 2 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 69 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 69 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 69 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 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 69 70 1 0 0 0 0 M CHG 1 69 1 M END