MMs02758354 MOE2007 2D CORINA 3.40 0006 02.08.2006 35 36 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 0.7420 -1.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 -1.3129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2419 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 -2.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 -2.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2259 -3.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2259 -3.9294 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2579 1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7579 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6470 2.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1923 3.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0707 1.9931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 -0.3960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6321 0.0385 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.2897 2.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6562 2.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8038 0.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8751 3.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2417 2.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0429 0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 1.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0429 -0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 1.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4419 -1.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8195 -4.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 2.3096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4316 3.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9668 3.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7468 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3349 2.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7365 3.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 29 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END