ANALYTICONDISCOVERY-ZINC04151593 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 69 0 0 1 0 0 0 0 0999 V2000 4.3530 -0.6800 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -1.7380 -0.4790 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -2.8020 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -3.5210 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -2.9190 -1.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -1.8460 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -4.9880 0.7600 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -5.9730 0.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -4.6380 2.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -5.4280 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -5.9130 -1.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8870 -5.4480 -1.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -7.4240 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -8.1350 -0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -7.5280 -0.5320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -6.3330 -1.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0900 -5.6810 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -5.4810 -1.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2130 -6.8160 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -7.4920 -3.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -6.4810 -2.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5040 -6.8970 -3.5810 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.0060 -7.5880 -4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -5.6900 -4.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -4.8460 -4.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -5.3220 -6.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 -4.5490 -6.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -3.2950 -6.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -2.8150 -5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6580 -3.5860 -4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 -7.6870 -2.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -8.1460 -1.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5680 -7.9420 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 -8.7140 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6910 -7.9610 -3.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -8.0660 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 -7.5960 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -9.2740 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -9.7440 1.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -10.9070 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -11.4760 3.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 -11.9040 2.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.0000 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 -0.4630 -1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 0.2000 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -2.9580 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -1.1230 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -5.8100 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -7.7270 -2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -7.7600 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -9.1730 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -8.1750 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -4.4310 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -5.4860 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -5.9530 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7550 -6.0250 -5.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6600 -5.0640 -3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5080 -6.3010 -6.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 -4.9230 -7.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -2.6930 -6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -1.8420 -4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -3.1990 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5520 -10.0790 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2050 -8.9760 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -11.6840 1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 -10.6330 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -11.5000 4.4310 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 46 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 47 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 35 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 41 42 2 0 0 0 0 41 67 1 0 0 0 0 M CHG 1 67 -1 M END