BACHEM-ZINC04899461 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.0330 1.5200 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0020 -0.0090 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0220 -0.3940 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -0.4880 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -1.1660 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.1640 -2.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -0.5260 -3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -1.7250 -3.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -2.0790 -4.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 -1.2420 -5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -0.0470 -5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 0.3100 -4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -1.6240 -7.0940 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7160 -2.6750 -7.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1070 -0.8870 -8.0630 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7090 -0.4920 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.6420 2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -0.3780 2.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.1380 3.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5900 -0.4500 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -2.5270 3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 -1.2140 4.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -1.1340 5.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -0.9990 6.1690 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -1.2040 7.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.1110 8.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 0.2290 8.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -1.2100 9.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -2.2540 8.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.9050 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 1.8790 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 1.8670 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 0.3200 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -2.3790 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 -3.0110 -4.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 0.6050 -6.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 1.2400 -4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7020 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 -2.8860 4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -3.2150 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -2.4700 2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -1.3220 4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 1.0430 8.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 0.2990 9.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5470 0.2990 7.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 -2.1650 9.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -1.1400 10.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -0.3960 9.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -2.1840 7.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.1840 9.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -3.2090 8.4370 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 16 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 12 2 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END