IBS-ZINC04705451 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 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 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.7500 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.2020 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.7030 1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -1.1630 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1270 -1.3740 2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -1.1280 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -0.6700 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -0.4620 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -1.3580 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5770 -2.7360 0.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -3.1890 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9540 -2.3270 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2570 -2.7620 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5240 -4.0660 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4630 -4.9410 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1450 -4.4920 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7360 -6.3250 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8830 -6.7130 -0.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8390 -4.5040 0.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5740 -3.7020 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9950 -4.2540 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6320 -4.2520 0.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9430 -5.0250 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5220 -4.4810 1.3920 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 0.6260 -0.5790 3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -0.0820 2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -2.3730 1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -2.8710 2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -2.3960 3.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 -1.3560 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -1.7320 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7010 -0.4780 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -0.1080 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7600 -0.6680 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7400 -1.1910 1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -3.3360 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7520 -1.3120 1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -2.0880 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3230 -5.1600 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0650 -3.7540 -1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6180 -2.6650 -0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9520 -5.2730 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5610 -3.6280 -1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9000 -6.0660 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4720 -4.9560 2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5650 -3.4560 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9750 -5.1010 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7140 -7.1620 -0.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9430 -8.0610 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 56 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 56 57 1 0 0 0 0 M END