CHEMDIV-ZINC06748779 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 -0.1960 0.6990 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -0.3300 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 -0.7210 0.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -0.0910 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1550 0.9450 -0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.3360 -0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -0.5270 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9880 -0.0260 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0050 -0.7530 0.3760 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 -0.7970 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 -0.0120 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5400 -0.2300 -0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 -1.2210 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2920 -1.9950 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 -1.7780 1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 -2.6240 2.0380 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -1.6290 1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -1.5370 1.3660 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5670 -1.4540 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0890 -1.8190 1.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2650 -1.2570 -0.8850 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7020 -1.4350 -0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4450 -0.2450 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9480 -0.5010 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1480 0.6810 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8410 1.9600 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7250 2.1690 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2700 2.1200 2.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 0.8390 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 1.0040 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 -0.8300 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -1.5280 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 1.4680 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 2.1400 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 0.7420 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 0.7530 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1700 0.4020 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7230 -2.7480 1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7780 -1.0050 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9590 -2.3590 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9690 -1.5620 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2170 0.6600 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0800 -0.0660 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2220 -1.3670 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2980 -0.6630 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1600 0.6070 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6130 -0.2110 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8980 1.9240 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4000 2.8190 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2960 1.3920 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1670 3.1330 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2200 2.1960 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7340 2.9880 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0380 -0.0500 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5210 0.8770 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6980 0.7040 0.2100 N 0 3 0 0 0 0 0 0 0 0 0 0 16.2740 1.5430 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 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 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END