BACHEM-ZINC04899794 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 0.2780 0.6670 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -0.6200 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -0.8080 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.2690 1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 1.5560 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 1.7710 0.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 3.1590 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 4.1230 1.4750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1980 4.3370 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 5.4820 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 5.8840 1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 3.5820 2.5570 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 3.4470 3.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 3.5130 4.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 3.3190 4.8610 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1200 2.6170 4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 4.7160 5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 4.9780 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 4.8160 4.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 4.4590 5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 5.2300 3.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 5.2360 3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3570 5.6490 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 6.0410 1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 5.4780 3.0090 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2680 5.7220 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 2.7290 6.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 2.2220 7.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 2.2910 7.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 1.5470 8.2410 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2610 2.2900 8.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.3280 7.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -0.8170 7.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -0.5130 9.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -2.0450 1.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -2.6540 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 0.8050 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -1.4510 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 0.1150 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 2.3860 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 3.5870 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 3.0610 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 3.3660 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 4.8320 6.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2240 5.5070 4.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 2.7120 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 0.4050 6.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 0.1630 8.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -0.8060 7.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -1.7940 7.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 -0.9220 9.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.8150 10.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 6.0170 -0.0060 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8890 0.9810 9.2060 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7800 1.3520 10.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 1.2960 8.8580 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 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 53 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 32 33 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 33 34 1 0 0 0 0 33 49 1 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 54 1 0 0 0 0 35 36 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 25 1 M CHG 1 53 -1 M CHG 1 54 1 M END