CHEMDIV-ZINC04004590 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 0 0 1 0 0 0 0 0999 V2000 0.2710 1.6210 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 0.1070 -0.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9340 -0.1270 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -0.4340 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -2.5220 -0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -1.8810 -1.4640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0450 -2.1660 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.4480 -1.4130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9060 -2.3750 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -2.5230 2.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -3.9990 2.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -4.9020 1.8020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -6.1020 2.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -5.9630 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -4.6090 3.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -3.9490 3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -3.3340 2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -2.7330 1.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -3.4270 3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -3.2840 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 -3.3650 2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 -3.5850 3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -3.7160 4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5350 -3.6330 4.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -7.0780 3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -6.9580 3.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -8.3090 2.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -8.4880 2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -9.6120 1.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -7.3310 1.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -7.4210 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -9.5240 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 1.9070 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3050 2.0040 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 2.1130 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -0.1770 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -0.0660 1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -3.6040 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -2.3060 -0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -2.1570 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -1.8800 -2.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -3.4560 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -1.9870 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6910 -2.2850 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -4.6780 4.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -3.1600 4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 -3.1170 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -3.2580 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9070 -3.6510 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -3.8800 5.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -3.7240 5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -6.9720 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6080 -8.4570 0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -6.8770 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -10.0370 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -10.1840 3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -9.3260 3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -1.9460 1.0340 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1420 -2.2190 1.2040 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 58 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 58 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 10 58 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 58 59 1 0 0 0 0 M CHG 1 58 1 M END