BACHEM-ZINC04899539 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -0.2750 2.8620 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 1.4500 -0.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4950 1.4310 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 0.5040 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.3570 1.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 0.6880 1.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -0.1320 2.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8630 -0.2500 3.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4860 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 0.6530 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 1.5760 1.9250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4800 0.2820 3.7820 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1120 -0.6990 4.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -0.1830 6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1050 0.3970 5.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 0.9240 4.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5980 2.0100 4.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 0.5280 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -0.5640 2.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 1.5050 3.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0530 1.4400 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4560 0.3280 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 0.3350 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4920 1.4680 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1030 2.5890 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 2.5680 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7670 1.4790 0.2220 N 0 3 0 0 0 0 0 0 0 0 0 0 13.1050 0.4480 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4400 2.5190 0.2600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7000 3.2800 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7270 3.5260 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 2.8820 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 1.4180 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -1.3680 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -2.1130 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -2.0320 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 -0.7870 4.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -1.6670 4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 0.6170 6.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9510 -0.9630 6.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 1.1890 6.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -0.3910 5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6900 2.3670 3.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8480 -0.5680 1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9610 -0.5470 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7270 3.4790 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 3.4490 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 0.9630 -0.4450 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.4120 0.0480 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 1.6090 -1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 0.7970 0.3900 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 48 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 48 50 1 0 0 0 0 48 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M CHG 1 48 1 M END