PEPTECH-ZINC02574693 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 -0.0380 0.3780 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -0.6060 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -2.0420 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -0.5680 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -0.1900 -1.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -0.1200 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -0.3550 -0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 0.2480 -2.6970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 0.3840 -2.9720 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5520 0.7530 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -0.9340 -3.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -2.0790 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -3.0680 -2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -4.1200 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.2070 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -3.2460 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 -2.1980 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 -1.2490 -1.0150 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3680 -0.6370 0.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3670 -1.1640 -1.8290 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3170 1.3650 -4.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.5360 -4.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 0.3450 1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 1.4090 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 0.1590 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -2.4160 0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -2.7140 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.1190 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 0.4380 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 -1.2340 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 -0.8660 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 0.4730 -3.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 -1.2420 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -0.7880 -3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -3.0140 -3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -4.8650 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -5.0210 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 -3.3190 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 1.8640 -4.2040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 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 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M CHG 1 39 -1 M END