IBS-ZINC05209683 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -4.7710 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 -6.1200 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -6.9490 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -8.3190 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -8.8760 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 -8.0410 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 -6.6670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1260 -8.5780 -0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -10.3490 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -11.3030 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -12.5330 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -12.3700 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -13.0810 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -10.9960 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7150 -13.8490 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -11.0340 -0.0650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -10.9150 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 -11.0660 2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -10.9450 3.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -10.6730 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -10.5200 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -10.6470 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4280 -10.2520 2.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -10.1400 3.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -6.5180 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -8.9610 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -6.0200 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -8.7390 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -14.1720 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 -14.5970 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -13.7290 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 -11.2790 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -11.0630 4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -10.5790 4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 -10.5330 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -9.3330 4.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9050 -11.0780 4.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0930 -9.9250 3.6000 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 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 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 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 28 29 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 52 1 0 0 0 0 31 32 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