MMs01287687 MOE2007 2D CORINA 3.40 0006 02.08.2006 30 31 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 -1.4999 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2605 1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5212 2.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7393 1.3051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2393 1.3174 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9999 0.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 2.6225 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7605 1.2683 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7482 -0.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7728 2.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2604 1.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1322 0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5625 0.4872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5748 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 2.4623 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.7955 2.8589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1607 2.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3053 0.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3814 3.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7467 2.4880 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6085 -1.0343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0914 -1.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1297 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 3.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7520 -1.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6798 4.0533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5251 3.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0606 4.0986 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 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 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END