IFLAB-ZINC04061755 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 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 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -0.1370 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -0.9320 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -0.3480 -3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 0.9210 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 1.4420 -1.5920 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -0.4520 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 0.2250 2.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5860 -0.0660 3.6170 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 0.4220 3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.2540 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 0.4770 4.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 1.8450 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 2.3780 5.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 1.5520 6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4250 0.1870 6.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -0.3560 5.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -1.6980 5.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 -2.4900 6.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -0.5870 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.2950 -0.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7360 -1.0730 -2.4550 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 -1.9540 -1.9540 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -0.8800 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 1.5340 -3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -1.5310 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -0.2140 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 1.3020 2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -0.1570 2.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 1.5010 3.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 0.1840 4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 0.1270 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -1.3320 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 2.4930 3.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 3.4440 5.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1710 1.9730 7.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 -0.4550 7.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 -2.1720 7.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1370 -2.3630 6.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8230 -3.5400 6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.7100 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -0.2220 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -1.5930 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -1.7560 -3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 0.0360 1.1570 N 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 4 1 0 0 0 0 2 24 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 53 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 53 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 22 23 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 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 M END