CHEMDIV-ZINC00987529 MOE2007 3D CORINA 3.40 0006 02.08.2006 60 61 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -0.1240 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -0.6090 3.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -0.3770 4.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 0.2660 5.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 0.3130 6.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.3450 7.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.7820 6.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -1.5320 6.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -0.5700 6.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 0.6260 6.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -1.0370 6.5460 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -0.1010 6.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 -0.8840 6.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 0.0930 6.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8080 0.9000 8.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2750 -0.6880 7.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -0.4400 8.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -1.0120 9.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 0.1070 9.2440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 0.7410 8.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 1.2230 9.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 0.8550 7.2960 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 1.5530 6.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 0.0100 10.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -1.5960 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.9610 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 -0.5720 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5020 -1.0940 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -2.1510 7.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -2.1680 5.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -1.9930 6.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 0.5180 5.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 0.5350 7.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 -1.5030 7.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 -1.5200 5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 0.7710 6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6420 1.5970 8.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 1.4570 8.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8040 0.2230 9.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 -1.2630 6.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1080 0.0090 7.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2710 -1.3650 7.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 0.8410 6.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 2.3260 7.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 2.0110 5.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 0.8710 11.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1090 -0.0080 11.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.9050 11.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 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 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 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 M END