MAYBRIDGE-ZINC01040577 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0240 -0.7930 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -0.3610 2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -1.2680 3.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.6310 3.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -3.0780 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.1640 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.4290 -0.7830 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7070 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.0060 -2.7290 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3970 -0.0060 -3.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 1.1700 -2.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -1.0570 -3.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -2.3290 -3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.4840 -4.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6430 -3.7440 -4.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -4.8500 -4.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -4.6990 -4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -3.4420 -3.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 -5.8860 -4.1380 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9580 -6.9950 -4.3420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -5.7540 -3.9060 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0600 -0.7160 5.2290 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 0.6950 2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -3.3410 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -4.1390 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.7890 -4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -1.6210 -4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -3.8650 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -5.8340 -4.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -3.3240 -3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 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 28 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 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 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END