MMs00778636 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 32 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 -1.5000 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2417 1.3134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4834 2.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0166 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 1.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0165 2.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0287 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2416 -1.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7416 -1.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4998 -0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7415 -1.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9832 -2.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4833 -2.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7249 -3.9593 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 9.7581 1.2368 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0164 2.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2581 1.2272 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5934 -1.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1066 -1.0258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0767 3.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 3.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 -1.0545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -2.3679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9065 0.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9415 -1.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -3.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3183 -4.9832 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 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 26 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 30 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END