MMs02896594 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 39 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 -0.7593 1.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0186 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 2.6088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2406 1.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 1.3259 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4999 0.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4813 2.6302 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7779 3.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 4.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5931 5.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9678 6.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 6.2620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1776 5.2663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2664 2.9159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7359 3.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2096 4.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6790 4.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6747 3.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 2.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7316 2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1967 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6661 1.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1441 4.1213 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5925 -1.0435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9593 1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0739 3.6523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 7.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 1.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4131 5.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0580 6.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3526 0.9568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7229 -0.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5195 -1.0459 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 10 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 7 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 32 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 33 1 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 35 1 0 0 0 0 24 25 2 0 0 0 0 24 36 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END