MMs01249870 MOE2007 2D CORINA 3.40 0006 02.08.2006 39 41 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 -1.5000 0.0026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2523 -1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5045 -2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0045 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 -1.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7432 -3.8984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2432 -3.9010 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6432 -4.9403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 -5.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -6.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5502 -4.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5528 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7678 -2.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -2.6890 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7622 -5.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1335 -4.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3455 -5.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7169 -5.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 -3.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6643 -2.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2929 -3.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2477 -3.1079 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.4071 -1.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4597 -3.9917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7523 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.0078 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6018 1.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 -3.6336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 -1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1414 -4.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 -6.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4315 -6.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 -7.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6865 -5.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7918 -1.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3233 -2.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5045 -2.5902 0.0000 O 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 26 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 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 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 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 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 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 39 2 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 27 -1 M END