MMs01887696 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 40 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 -1.3037 -0.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 -2.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 -2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 -2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2943 -0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0163 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5980 -1.2163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -0.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2055 1.4674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 2.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6074 1.4837 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 2.4943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1177 3.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6085 3.6947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4904 -0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4809 -2.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7753 -3.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0790 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0884 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3733 -3.0651 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -2.9836 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9112 -2.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 -4.4836 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0075 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -0.1353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -4.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 -2.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8848 -1.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2484 2.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5243 4.9038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 -2.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7677 -4.2488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1314 -0.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8016 1.1511 0.0000 H 0 0 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 33 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 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END