BACHEM-ZINC02012357 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.3780 1.7830 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.2810 0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.2540 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -0.4930 0.6390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1450 -0.3610 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 0.0600 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 -0.4530 -1.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -1.9350 0.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 -2.8700 1.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -2.6080 2.6120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 -4.2990 1.0160 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0690 -4.3040 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -4.9150 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -6.3210 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -6.1440 2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -5.1400 2.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -4.9250 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -4.2260 2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -5.5130 4.4470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0850 -6.5680 4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -4.6590 5.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -5.2920 6.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -4.4140 7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -5.0540 8.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 2.3020 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 2.2510 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1050 1.9610 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 0.1660 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.2280 3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -1.2820 2.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 0.3470 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -2.1880 -0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1050 -4.3580 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -4.9320 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -6.7310 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -6.9940 0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 -5.7390 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -7.0700 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -3.6700 5.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6760 -4.4740 4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 -6.2870 6.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -5.4210 7.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -3.4340 7.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 -4.2350 6.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -6.0110 8.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8270 -5.1910 9.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 0.9120 -0.5160 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.6380 -4.1630 9.2980 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0250 -4.5880 10.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -3.9660 8.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -3.2580 9.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -5.4520 5.0370 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9780 -4.5300 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -6.1420 4.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -5.5780 6.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 47 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 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 52 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 48 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 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 1 M CHG 1 52 1 M END