IFLAB-ZINC05300552 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 57 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8210 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.5630 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -2.3800 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8580 -2.6760 2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 -3.1690 3.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -3.4520 4.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -3.2100 4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -2.7120 3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -2.5640 4.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -3.6950 4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 -3.5520 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 -2.2860 4.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -1.1590 4.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -1.2920 4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -2.1500 5.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9780 -0.8200 5.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -3.6670 5.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -3.6540 6.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -4.1650 6.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -4.1780 6.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 -4.6020 7.8680 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1070 -5.0920 8.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -5.5170 9.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -6.8190 10.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -7.2090 11.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -6.2970 12.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -4.9950 12.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -4.6060 11.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8690 -2.4760 1.4770 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -4.6790 4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -4.4250 4.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -0.1770 4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -0.4160 4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -0.3480 4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 -0.8540 5.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4150 -0.2440 5.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -4.5920 8.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -5.9430 8.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -4.2970 8.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2840 -7.5320 9.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -8.2260 11.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -6.6020 13.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -4.2820 13.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -3.5900 10.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -1.4780 1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 -3.2210 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 -2.5870 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 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 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 45 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 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 M END