NIH-ZINC04118694 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 76 0 0 0 0 0 0 0 0999 V2000 -1.0570 0.8340 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -0.4930 0.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -1.4760 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -1.2020 2.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -2.1750 3.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 -3.4350 3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -3.7230 1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -2.7540 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -3.0600 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.1130 -1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 -0.7660 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 0.0370 -1.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -4.3450 -0.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -4.7400 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -6.2200 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -6.7600 -3.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -8.2370 -3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -8.6930 -4.2650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -9.0160 -3.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -10.4500 -3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -11.1460 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -12.6290 -4.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -14.7890 -5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -15.4400 -6.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -13.6490 -7.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -13.0060 -6.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -15.8010 -9.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -15.8430 -9.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -16.7480 -9.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 -16.7690 -10.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -15.8870 -11.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -14.9880 -11.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -14.9650 -11.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 1.3100 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 1.4780 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 0.7500 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -0.2310 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -1.9450 4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -4.1950 3.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 -4.7170 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -2.2650 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -4.5880 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -4.1630 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -6.3790 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -6.7700 -1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3910 -6.5980 -4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -6.2510 -4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -8.5680 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -10.6610 -2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -10.7960 -2.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -11.0100 -4.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -10.6710 -5.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -12.8170 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -13.1220 -3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -14.9240 -5.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -15.2080 -5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -16.5280 -6.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -15.0580 -7.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -13.2060 -8.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -13.5180 -8.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -13.4060 -5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -11.9230 -6.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -15.2670 -9.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -16.8270 -9.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -17.4580 -8.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1840 -17.4780 -10.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5650 -15.9060 -11.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -14.3090 -12.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -14.2550 -11.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -13.2890 -5.7100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6640 -12.8790 -6.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -15.1420 -7.8310 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8320 -15.5890 -7.3950 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 2 11 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 40 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 70 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 70 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 72 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 72 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 72 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 31 32 2 0 0 0 0 31 67 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 70 71 1 0 0 0 0 72 73 1 0 0 0 0 M CHG 1 70 1 M CHG 1 72 1 M END