MMs03452457 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 43 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 -0.7474 -1.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5052 -2.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2526 -1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -2.2315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 -3.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 -3.7078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 -0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2606 -1.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3734 -0.0523 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8009 -0.5130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1157 -1.9796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9136 0.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3411 0.0322 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4538 1.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9216 0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6691 2.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1356 2.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5963 3.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5904 4.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1238 4.5699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6631 3.1424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2940 2.5296 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6021 1.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9474 -1.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5928 -3.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 1.0434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 -4.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5813 0.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1215 1.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9665 1.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4748 1.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9404 1.4543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7696 4.0238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9590 6.0267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3191 5.4601 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 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 30 1 0 0 0 0 4 5 2 0 0 0 0 4 11 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 9 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 M END