MMs01394417 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 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 0.4871 -1.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -2.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -2.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4507 -4.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5491 -5.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0601 -5.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5272 -3.8454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9459 -3.3584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 -1.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1199 -0.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 0.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5001 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6989 -0.6427 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5474 0.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5174 0.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -1.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2606 -2.7190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2779 -0.3284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6581 -0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8396 -2.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2198 -2.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4186 -2.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2371 -0.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8569 -0.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7988 -2.6778 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2114 -4.0580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3861 -1.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1790 -3.2651 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 16.1380 -2.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9397 -4.3898 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 0.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3897 1.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -0.3897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5847 -1.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0190 -6.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 -6.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7086 0.9915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 2.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3263 0.7012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1327 0.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 -3.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3650 -4.1832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1961 0.1199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7117 1.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 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 41 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 M CHG 1 29 -1 M END