NIH-ZINC04039903 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 -0.6370 1.3800 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 0.0680 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -0.7500 -0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -1.9710 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -2.3740 1.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -2.6840 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -3.9300 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -4.1350 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -3.0620 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 -2.1950 -0.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -1.3080 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -2.7590 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -5.2070 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -5.3640 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -4.5370 2.5910 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0070 -4.5650 3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8550 -5.2990 3.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4360 -6.4220 2.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1910 -7.2290 3.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9780 -6.4900 1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 -7.3260 0.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0490 -4.9250 4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4240 -4.2940 5.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7790 -4.2360 6.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3760 -3.1440 8.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7750 -2.5410 8.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7780 -3.4960 7.9830 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6350 -3.9280 6.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2860 -4.6110 6.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 -3.1130 2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6380 -2.0390 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0850 -0.7320 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3860 -0.5360 2.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2440 -1.5390 1.8240 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7740 -2.7980 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6260 -6.0630 -0.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -4.8450 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 2.0420 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 1.2060 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 1.8890 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.4400 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.2570 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9780 -1.7380 -2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -3.4490 -2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9360 -2.8590 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9730 -5.8450 5.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 -4.2540 5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 -3.2820 4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1760 -4.8680 4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7770 -5.2240 7.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0750 -3.5820 7.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6050 -2.3960 8.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2540 -4.0110 8.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9550 -2.2410 9.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8830 -1.6480 7.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4440 -4.6340 6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7580 -3.0700 5.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1760 -5.4870 7.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1630 -4.8950 5.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -2.2100 3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 0.1120 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 0.4650 1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4960 -3.5710 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -6.7560 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -4.4070 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -5.8180 1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -5.0240 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1630 -3.6440 6.7890 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.2310 -2.8260 6.1660 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 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 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 2 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 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 68 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 68 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 33 34 2 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END