MMs03075076 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 56 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 1.5000 -0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2423 -1.3123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7423 -1.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9999 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 -1.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9845 -2.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 -2.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -3.9192 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 8.2422 -1.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9845 -2.6512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4845 -2.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2421 -1.3655 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2268 -3.9635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7267 -3.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4844 -2.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9844 -2.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7267 -3.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9690 -5.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4691 -5.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7114 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7420 -1.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2347 -1.2441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0324 -2.1406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5553 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8587 0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8676 2.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5730 3.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2695 2.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2607 0.9789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1401 -0.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2986 1.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 0.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9061 1.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 1.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5784 -3.6762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3784 -3.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6206 -4.9992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8906 -1.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 -3.9972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5629 -6.3275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6757 -5.9643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1053 -7.6061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7471 -7.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8944 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9103 3.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5801 4.4212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2339 3.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 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 13 42 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 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 33 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 52 1 0 0 0 0 31 32 1 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 M END