MAYBRIDGE-ZINC03139054 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.6060 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -0.9040 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 -1.5180 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.8410 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -1.5530 -3.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.9350 -2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -0.6290 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 0.4400 -2.6950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -1.8720 -4.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -3.1650 -4.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -2.4980 -4.3560 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7140 -2.7520 -4.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 -2.7840 -5.3550 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7440 -0.5630 0.2000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9330 -0.8230 0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -0.0210 1.1480 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -1.7460 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -3.9300 -4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -3.2600 -3.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -3.2910 -5.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 -1.5350 -1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -1.2890 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 11 12 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M CHG 1 16 1 M CHG 1 18 -1 M END