ACROSORGANICS-ZINC04261926 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 -0.0800 1.5170 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 0.1380 -1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.5500 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 0.1380 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 1.5240 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.2100 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -0.6110 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -1.2280 -1.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 -1.8920 -1.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -2.0340 -0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4930 -2.3660 -2.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 -3.0900 -3.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4990 -2.7560 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 -4.6110 -3.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -5.1420 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -6.6720 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -7.2000 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 -2.6950 -4.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 -2.4130 -5.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4910 -2.7620 -4.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9310 -2.3910 -5.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 -1.0380 -6.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4980 -0.6750 -7.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8670 -1.6760 -8.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 -3.0340 -8.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3180 -3.3910 -6.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 -1.2990 -9.7370 N 0 3 0 0 0 0 0 0 0 0 0 0 10.4650 -0.0910 -9.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6180 -2.2110 -10.5320 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0000 2.0520 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -0.4020 -1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -1.6270 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2450 2.0790 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.2850 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3470 0.0750 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -1.3760 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8340 -2.1720 -3.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -4.9110 -3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 -5.0930 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1220 -4.7810 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -4.7640 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -7.0370 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2450 -7.0560 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 -6.8780 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1050 -6.9110 0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7480 -0.2710 -5.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 0.3800 -7.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0780 -3.8170 -8.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2540 -4.4380 -6.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -8.6820 -0.2050 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9860 -9.0740 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 -9.0330 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 -9.0740 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 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 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 50 1 M END