IBS-ZINC05485621 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 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 0.0230 -0.7000 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0830 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7750 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0740 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.7680 -2.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -2.5220 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -2.9640 -4.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -3.0080 -5.2590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.3130 -5.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -3.3810 -4.4160 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3360 -4.3830 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -2.3760 -3.2540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9930 -1.3720 -3.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -2.4410 -2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -2.4390 -3.9260 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -1.0990 -4.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 -3.3940 -3.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -3.0730 -5.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1350 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.7860 1.2640 C 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 0.0250 -0.1620 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6230 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1410 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -3.0660 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -1.4560 -3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -3.5180 -6.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -1.5660 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -3.3590 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 -3.9800 -5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3470 -2.3170 -5.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8080 -4.5060 1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -5.8660 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -4.4820 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END