PEPTECH-ZINC02504869 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.2380 1.1230 -1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 -0.2630 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9980 -0.9360 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1320 -0.2230 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0950 1.1780 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8910 1.8370 -0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 2.0180 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 2.3070 -1.4230 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6380 1.3600 -1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 3.1310 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 2.3250 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 1.3330 -0.4140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 3.0550 -2.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 2.5010 -3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3230 1.3350 -4.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 3.4680 -4.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 3.0180 -5.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 4.1980 -6.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 3.7650 -7.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.9070 -7.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 2.6620 -8.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 3.2740 -9.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 4.1460 -9.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 4.3890 -8.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 5.2350 -8.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 5.1460 -7.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 5.8660 -6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 6.6770 -7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 6.7630 -8.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 6.0410 -9.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -1.2390 -0.3840 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 1.6520 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -0.8200 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -2.0190 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 2.9210 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 2.9720 0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 1.5270 0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 3.3900 -1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 4.0790 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 4.0430 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8890 2.6040 -6.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 2.2250 -5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 4.7790 -5.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 2.4350 -6.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 1.9900 -8.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 3.0690 -10.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 4.6150 -10.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 5.8030 -5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0330 7.2440 -6.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6050 7.4010 -9.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 6.1180 -10.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 2.7550 1.2480 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 52 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 18 43 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 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 M CHG 1 52 -1 M END