IFLAB-ZINC05146593 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.0490 1.3130 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.0370 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -0.6560 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 0.0670 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 1.4250 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 2.0430 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -0.6070 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 0.0030 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 -1.0270 -0.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 -1.1850 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6950 -2.4900 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -3.5620 -0.5180 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -2.1710 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -1.9810 -0.4960 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3240 -0.0530 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4550 0.7490 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5440 1.4430 -1.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6780 0.6320 -1.9490 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9260 1.2930 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0570 2.8170 -3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 4.9100 -4.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9560 5.5530 -5.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7140 5.5720 -6.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2180 4.2500 -6.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 3.5310 -5.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 1.7950 -0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -0.6110 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 -1.7110 -1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 2.0240 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 3.0960 0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 1.0320 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6980 -2.8950 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 0.6210 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3060 -0.4260 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4120 0.0630 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 0.8690 -3.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1050 1.0240 -3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 3.2800 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9430 3.0510 -2.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7470 4.8380 -3.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0610 5.4570 -3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2890 6.5890 -5.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7090 5.0260 -6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2840 4.3360 -7.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9300 3.6930 -7.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2140 4.0660 -4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6340 2.5020 -5.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2460 3.4910 -4.4330 N 0 3 0 0 0 0 0 0 0 0 0 0 10.9500 2.9590 -4.9650 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 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 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END