MMs02891559 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 43 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 1.3036 -0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9016 -0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4996 -0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5087 -2.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0976 -0.6949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0976 0.5051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3830 1.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0795 2.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1067 -2.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4103 -2.9370 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6682 -4.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7138 -3.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1524 -1.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5937 1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0428 0.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 -1.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 -1.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 -1.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8211 0.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3638 0.9396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 -1.6503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6785 -1.6409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 0.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 0.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8094 -1.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5726 0.2785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9237 -1.9937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 -2.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1467 -3.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0745 -5.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1896 -4.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4170 -4.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7567 -4.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0107 -3.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6738 -1.9303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7461 -0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1096 -1.0397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6775 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6702 3.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 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 2 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 15 1 M END