CHEMDIV-ZINC00645024 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 57 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2180 -0.6690 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -2.1400 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.9480 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 -4.3200 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -4.8940 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -4.1040 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 -2.7210 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -1.9450 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6840 -0.6950 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -0.2200 -0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 0.0700 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.4580 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.1030 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.8640 0.0110 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 4.3080 -0.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 4.2270 -0.5210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 4.3460 1.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 4.6350 2.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8130 5.0210 3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 4.3810 3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 4.5640 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 -6.6480 -0.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -6.9490 0.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -7.1770 0.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -7.0880 -1.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -7.2080 -2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -7.6170 -3.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -7.1540 -4.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 -7.4320 -2.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.8990 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5610 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -2.5010 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -4.9480 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -4.5620 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 2.0290 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 3.7500 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 5.4640 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 4.5970 4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 6.1040 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 3.3260 4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 4.9210 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 5.5730 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 3.8250 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 -6.2500 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -7.9720 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -7.0960 -4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -8.6970 -3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -6.0930 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -7.7520 -4.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -8.4840 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -6.8000 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 2 0 0 0 0 16 19 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 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 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 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END