IFLAB-ZINC01907763 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 2.0450 1.4300 1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 0.0460 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 -0.6790 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -0.0150 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 1.3720 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 2.1020 0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 2.0690 -2.0950 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4100 1.4320 -3.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 3.2580 -2.0380 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2680 -2.1230 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -2.7550 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.1600 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -0.9570 0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 -3.1520 0.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -4.4550 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 -5.8630 0.6130 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -4.4710 0.6400 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -2.7640 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -2.7310 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5940 -2.3860 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -2.3820 -2.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 -2.0600 -2.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1260 -2.0570 -4.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3040 -2.2820 -5.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 1.9820 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -0.4600 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -0.5720 -1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 3.1800 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -2.6890 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -3.4610 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7740 -1.7720 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -1.9950 -1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -3.7030 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1790 -3.1160 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7750 -1.4020 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 -1.6460 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -3.3620 -3.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 -2.7910 -2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7510 -1.0720 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3680 -1.8240 -4.3160 O 0 5 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 40 -1 M END