BACHEM-ZINC04899539 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.0340 2.6950 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 1.1810 -0.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3840 0.8800 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 0.4830 1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -0.2500 1.7510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 0.6720 1.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 -0.0070 2.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8350 -0.0800 3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.4110 1.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7470 0.7800 2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0390 1.8060 2.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 0.3420 3.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 -0.8830 4.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -0.6250 5.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 0.1620 5.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 1.0050 4.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4660 2.0100 4.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7630 1.0680 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 0.6060 2.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 1.6380 3.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9710 1.5990 2.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 0.5040 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0880 0.4690 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9770 1.5230 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8660 2.6140 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 2.6580 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0500 1.4820 -0.3500 N 0 3 0 0 0 0 0 0 0 0 0 0 12.1490 0.5200 -1.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8340 2.4090 -0.4460 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0890 2.9680 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 3.2000 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4450 2.9960 0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 1.2580 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 -1.3370 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -1.9160 2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -1.9790 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -1.0380 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -1.7440 4.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3330 -0.0200 6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -1.5630 6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 0.8040 6.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 -0.5200 5.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1140 2.0750 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3920 -0.3190 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1780 -0.3820 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5620 3.4360 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7730 3.5140 3.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 1.2680 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 0.8120 -0.1660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.1890 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 49 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 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 16 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END