ANALYTICONDISCOVERY-ZINC04151710 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 69 0 0 1 0 0 0 0 0999 V2000 0.2780 1.8260 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 0.3240 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 0.0910 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9610 -0.4000 0.9730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3110 -0.1670 1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -0.0440 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3770 -0.6850 0.9820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 1.0700 2.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 1.4900 2.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -1.8570 0.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -2.5990 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -2.0860 1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -4.1210 0.7140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3830 -4.8470 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 -6.3780 0.7690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0560 -6.6530 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -6.9480 1.6900 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5010 -6.9160 2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -6.1970 1.5100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5680 -6.4250 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -4.6930 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -6.6810 2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -7.6540 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -8.3180 1.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -8.7700 1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 -6.9460 1.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -8.2770 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 -9.1180 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -8.5540 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -10.0430 1.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 -10.7790 -0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -11.5380 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -10.6040 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4160 -10.1490 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -10.7610 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7720 -10.2720 3.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 -9.5890 3.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -4.3460 -0.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 2.3330 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 2.2930 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 2.0100 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -0.0800 -0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 0.5250 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -0.9770 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 0.5530 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6430 2.3890 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 0.7130 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 1.7350 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -2.2960 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 -4.5960 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -4.4820 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -4.2440 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -4.4530 2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -6.3200 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 -8.0450 1.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -8.0490 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -10.0620 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5290 -11.4560 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 -11.7480 -1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6940 -12.4900 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 -9.7470 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6950 -11.1000 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 -10.9080 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 -9.2080 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 -11.8180 2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2480 -10.7640 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -3.8700 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -10.6390 4.6230 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 42 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 46 1 0 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 10 11 1 0 0 0 0 10 49 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 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 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 2 0 0 0 0 36 68 1 0 0 0 0 38 67 1 0 0 0 0 M CHG 1 68 -1 M END