MMs00217332 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 62 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 1.2996 -0.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3006 -2.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6002 -2.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8987 -2.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 -0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 -2.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7963 -2.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1982 -2.9964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 -4.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 1.5054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4936 2.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4926 3.7545 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4533 3.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2784 4.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7410 6.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 6.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7055 4.6370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 2.2563 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 3.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8426 0.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3902 3.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3892 4.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6877 5.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9872 4.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9883 3.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6898 2.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2878 2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5864 3.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2889 0.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 -1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 -2.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -4.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 1.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 1.2036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2054 -1.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9759 0.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 1.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 2.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 5.1227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5670 6.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8656 7.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 7.2566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4146 6.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3495 5.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 6.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0261 5.1098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6906 1.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9892 -1.0288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6281 -0.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1877 1.0505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 56 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END