MMs00666269 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 -1.2942 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6076 -1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3135 -2.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0096 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 -2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2749 -3.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5884 -1.5166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1864 -1.5333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1864 -2.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5528 -2.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5636 -1.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3528 -0.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 0.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2057 -1.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5095 -2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8037 -1.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4902 0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4806 2.2916 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.1075 -2.1916 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.4017 -1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1171 -3.6916 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0431 0.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2865 1.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 -2.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3212 -3.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 -0.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 -3.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -3.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9461 -3.1876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5191 -2.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3608 -1.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 -0.3449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9213 0.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4585 1.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1703 -2.0733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5172 -3.4082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8294 0.6567 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 17 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END