BACHEM-ZINC04899525 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 53 0 0 1 0 0 0 0 0999 V2000 -0.2740 1.7440 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 0.5460 0.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8230 -0.0250 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -0.3300 0.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1640 -0.2960 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 -1.7930 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -2.2570 -0.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.4960 1.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -3.9610 1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0740 -4.1790 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -4.7500 -0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -4.5340 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -5.5000 -2.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -5.4030 -3.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9210 -4.4090 2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -3.7350 2.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 -5.6340 2.8150 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -6.3800 2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -7.2700 4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -7.6220 4.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -6.3650 3.5090 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1250 -5.7260 4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -6.8240 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -7.2810 1.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 1.0400 -0.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 1.5690 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6040 2.3720 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 2.3780 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 1.4250 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -2.0010 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 -4.5460 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -5.8200 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -4.7160 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 -3.4990 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -5.2910 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -6.5280 -2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 -5.6350 -3.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -4.4220 -4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -5.7170 2.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6480 -6.9730 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -6.7050 4.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -8.1510 4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -7.8730 5.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -8.5000 3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -6.4060 -4.6300 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6270 -6.3770 -5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0170 -7.3620 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 -6.2500 -4.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -6.7100 3.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4900 0.2080 0.4230 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1170 -0.5820 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 0.8700 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 0.6840 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 50 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 25 26 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 M CHG 1 45 1 M CHG 1 49 -1 M CHG 1 50 1 M END