NIH-ZINC06499025 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -1.1900 1.6840 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 0.2820 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 0.1590 1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 0.0950 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -1.8550 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -2.3590 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -3.8010 -1.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -4.4390 -2.0850 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2740 -4.0920 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -5.8860 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -6.0570 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -4.7200 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -4.5250 -0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -7.2010 -1.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 -6.8830 -2.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -6.6310 -2.9070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -8.1540 -3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -9.4670 -2.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -10.3940 -3.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -9.6780 -4.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -10.1090 -4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -8.3290 -3.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -7.3560 -4.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -11.8390 -3.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -12.5220 -2.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -12.3430 -4.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -13.7680 -4.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -9.7800 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -4.0890 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -4.6860 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -4.2830 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -3.2650 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -2.6510 -1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -3.0710 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -1.6240 -1.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 -1.2300 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 2.3630 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 1.6750 -1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 2.0990 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 0.2670 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 -0.3460 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -0.4540 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 1.1970 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 0.7030 0.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 0.4830 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -0.9270 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -2.1650 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -2.2460 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -1.8730 -2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 -2.1250 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -6.9270 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -7.1530 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -7.7460 -5.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -6.4110 -4.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2910 -14.2300 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -14.1140 -4.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -14.0570 -5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -10.1400 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 -10.5510 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 -8.9030 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 -5.4720 0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 -4.7600 1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5780 -2.9760 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -2.5830 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7800 -0.4440 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0300 -2.0630 -0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -0.8100 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -0.3280 0.1260 N 0 3 0 0 0 0 0 0 0 0 0 0 0.6200 -0.0110 -0.5050 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 40 1 0 0 0 0 2 41 1 0 0 0 0 2 68 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 68 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 68 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 14 51 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END