MMs01513429 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4937 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1221 1.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6158 1.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 -1.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2485 1.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6568 3.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7114 1.3680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8483 -0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1372 -0.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 -0.7174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8395 2.3568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5520 0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9722 -0.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1003 0.9092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8080 2.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3877 2.8630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5205 0.4266 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 1.8469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0380 -0.9936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9408 -0.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2330 -1.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6533 -2.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7813 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4891 0.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0688 0.9328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6171 1.4390 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1095 1.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -0.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1095 -1.1950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8937 -0.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9617 1.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 2.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3005 2.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7013 2.1474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0133 -1.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 -2.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2737 -1.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6745 -2.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2048 -1.8878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9038 3.1081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4169 3.4087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3691 -0.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3523 0.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3948 -1.1315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9079 -0.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0077 2.4063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9909 3.5664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9652 3.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4521 3.6143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3306 -2.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8871 -3.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9175 -1.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8350 2.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2597 1.8742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 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 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 57 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 57 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 57 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 56 1 0 0 0 0 M END