IBS-ZINC04084915 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -0.0140 1.4430 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0140 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.5930 -1.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 0.1660 -2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.4440 -3.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -1.8190 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.5860 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.9820 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7390 -0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -4.1580 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -2.5440 -4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8270 -1.6010 -5.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3970 -0.2960 -5.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 0.4490 -4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -1.9160 -6.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 -1.0820 -7.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1430 -3.2170 -7.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -3.5660 -8.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -4.8670 -8.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -5.3530 -9.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -6.6780 -9.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -6.9430 -8.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -5.8540 -7.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 1.8160 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8060 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.7980 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 1.2440 -2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.6640 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -4.4660 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -4.4490 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -4.6420 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -2.9840 -3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -3.3330 -4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -0.4440 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 0.2770 -5.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.7860 -4.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 1.3150 -3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -3.9320 -6.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -2.8510 -9.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -4.8190 -10.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -7.3590 -10.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -7.8810 -8.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 M END