MMs02510592 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 64 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 1.2928 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2806 -2.2606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0246 -2.9999 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0146 -3.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3174 -2.2393 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3567 -1.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 -2.9786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6349 -4.4786 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3420 -5.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0369 -4.4998 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0369 -5.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -5.2605 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2952 -5.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 -6.7604 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2437 -7.9604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 -7.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5242 -9.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -7.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 -4.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3955 -5.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 -7.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1348 -4.4663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8741 -3.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3741 -3.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1134 -1.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6134 -1.8314 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.3527 -0.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8527 -0.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5920 0.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.0919 0.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8526 -0.4894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8313 2.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3312 2.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3051 -0.7393 0.0000 O 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 -1.0343 0.6085 0.0000 H 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 2.3148 -2.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -1.8476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2143 -3.0779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9562 -6.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 -7.7391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5585 -9.6295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 -8.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5954 -5.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3087 -2.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0728 -1.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1754 -4.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5051 -3.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9825 -1.4425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3121 -0.6602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2217 -0.1251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5514 0.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6540 -1.6974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9836 -0.9151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9835 1.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2228 3.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9227 3.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9397 1.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3394 -0.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8954 -5.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5039 -6.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 63 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 63 64 1 0 0 0 0 M END