IFLAB-ZINC04263174 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 -0.5450 1.4370 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.0440 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.4170 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -0.4890 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -1.5200 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 -1.1940 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1470 -0.0120 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -2.4210 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1040 -0.4080 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 -1.0550 4.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.8660 6.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6800 -1.3200 6.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1380 -1.0260 6.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -0.6020 4.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -2.8230 5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -3.2540 4.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -3.7750 6.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -5.0830 6.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -6.0230 7.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 -5.6640 9.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -4.3680 9.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -3.4230 8.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -1.4920 7.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 -1.0940 8.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -1.6640 9.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0890 -2.6450 9.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -3.0530 8.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8560 -2.4820 7.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 0.5620 6.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -0.3390 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 2.0700 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 1.6510 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 1.7730 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -1.3870 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 0.3280 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 0.5000 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -2.5080 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -1.6180 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 0.8600 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 0.2990 0.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -0.2870 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -2.6950 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -2.2240 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -3.2950 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 0.6840 3.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -0.6960 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9970 -2.1180 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -0.6100 4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.9460 4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 0.4880 5.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -5.3810 5.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 -7.0350 7.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -6.3960 9.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -4.0950 10.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.4330 8.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7520 -0.3310 8.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -1.3430 10.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -3.0920 10.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2190 -3.8210 8.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -2.8450 6.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 0.8110 6.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 0.2560 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -1.3940 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.1010 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -0.9140 -0.2300 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9950 -0.5420 -0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 -1.8280 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -0.9250 3.5990 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7390 -1.9730 3.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 65 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 68 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 65 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 9 68 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 14 68 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 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 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 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 65 66 1 0 0 0 0 65 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 65 1 M CHG 1 68 1 M END