MMs01048282 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 41 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 -0.0048 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2918 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3111 -3.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3063 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 -4.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 -6.1182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3311 -5.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8953 -4.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9026 -5.5407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3688 -5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8277 -3.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3761 -6.3356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8423 -6.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3012 -4.5909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7674 -4.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7747 -5.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3158 -6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8496 -7.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3907 -8.5586 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -13.2409 -5.0692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 -1.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3242 -4.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 -1.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4422 -3.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9109 -3.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5355 -6.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -7.4781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4954 -3.7018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1345 -3.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1216 -7.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9876 -3.8962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4139 -4.8159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4942 -6.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END