MAYBRIDGE-ZINC04300115 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.5140 0.7900 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.4080 -0.4460 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6980 -0.9470 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 0.0350 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.5690 1.9130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5340 1.4840 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -0.4700 2.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -0.8740 1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -1.3720 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -0.9320 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8750 -2.1390 0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -2.2880 0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -1.2160 1.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4990 0.0030 1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 0.1210 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 1.4370 1.7680 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2810 2.1510 0.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5140 1.7710 2.9590 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.8620 -1.4030 1.1670 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.3210 -0.0390 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0840 -2.3300 0.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2260 -1.9760 2.6050 N 0 5 0 0 0 0 0 0 0 0 0 0 -7.9890 -1.2570 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 0.9320 3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 1.4470 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 0.4550 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 1.3860 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -0.8260 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 0.7960 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -1.3640 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 -0.0890 3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -1.5410 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -2.3440 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -3.0010 0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7170 -3.2370 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 0.8420 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 1.6910 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 1.3390 3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 0.0580 3.5200 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 22 -1 M END