BACHEM-ZINC04899603 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 -0.2740 1.6290 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.1030 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -0.5100 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -0.4810 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.2940 -1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 0.0470 -1.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 0.7080 -0.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -0.4770 -2.1830 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -0.3390 -2.4310 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5120 0.6330 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0140 -1.4740 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -1.3980 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 -2.6480 0.4770 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -2.3080 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 -0.3710 -3.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -0.8820 -4.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 0.1720 -4.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 0.9190 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 1.7910 -4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 0.8890 -6.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 0.0580 -5.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0720 0.4830 -6.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -1.3570 -6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 -2.2610 -5.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 2.0960 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4470 2.0550 -1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.9280 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -0.3470 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3880 -1.5880 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -0.0810 1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -0.0930 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 -1.5700 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -0.2460 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -0.9900 -2.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -2.4440 -2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0510 -1.4300 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 -0.4080 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9910 -1.5900 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 -2.4750 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 -2.9830 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 -1.2780 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 1.5120 -2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3120 0.2040 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 2.6710 -5.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2090 2.1360 -4.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 1.4680 -7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0850 0.2610 -6.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3360 -1.4270 -7.7250 O 0 5 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 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 M CHG 1 48 -1 M END