BACHEM-ZINC04899727 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0060 2.0540 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 0.5510 0.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5510 0.3010 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -0.1470 -0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -0.6920 -1.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -0.1270 1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -0.8170 1.0330 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7980 -0.5510 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3040 -0.3880 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5660 1.1010 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0120 1.9020 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 3.2780 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 3.8670 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5950 3.0800 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 1.7040 0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1200 -2.3480 1.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -2.8310 1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 -3.0670 1.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -4.4700 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4010 -5.3620 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -6.7390 0.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9310 -7.2240 1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -6.3490 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -4.9750 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -8.6610 0.9790 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2050 -9.4180 0.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 -9.0380 1.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9590 2.5580 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 2.3060 -1.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 2.4680 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.3760 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9270 -0.7210 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 -0.8890 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 1.4560 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 3.8910 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 4.9370 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2180 3.5390 1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8150 1.1080 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -2.5470 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -5.0180 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -7.4070 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -6.7100 1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -4.3090 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 0.0400 -0.8890 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3400 -0.9470 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9890 0.5750 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 0.0490 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 44 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 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 44 1 M END