MMs00246002 MOE2007 2D CORINA 3.40 0006 02.08.2006 54 57 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 0.7483 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2483 -1.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4966 -2.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9966 -2.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7483 -1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 -0.0955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0575 -0.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0556 -2.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6284 -2.5225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2722 0.3193 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.2330 0.9193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1174 1.8112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3320 2.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7016 2.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8564 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6417 -0.2926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2259 -0.0244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6140 -1.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8378 1.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5955 -0.6363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7503 -2.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1198 -2.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3345 -1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1796 -0.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8101 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7040 -2.4720 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 0.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -0.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4517 -1.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -1.9967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 -3.6365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0351 -3.1994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4014 1.0361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1013 1.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0953 -3.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3953 -3.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9634 1.4820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5927 2.8905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4699 3.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0044 3.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9934 3.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8985 1.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9694 -1.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5039 -1.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7786 -2.8324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2437 -3.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1514 0.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6862 1.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 M END