4085741 -OEChem-05231305053D 56 58 0 1 0 0 0 0 0999 V2000 -2.7490 2.3166 -0.2102 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0616 1.5301 -1.8556 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 3.1772 -1.1971 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 2.8837 0.7348 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 1.5058 1.3947 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 -3.2731 -0.5627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5351 1.4386 0.6551 N 0 0 2 0 0 0 0 0 0 0 0 0 1.5340 -0.5455 0.4088 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5552 0.6582 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9576 0.7407 1.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 0.5942 0.6332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 1.6665 3.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8232 -0.7528 1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 -1.6106 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 1.0340 -1.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 -0.1443 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2159 1.0003 4.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 -2.6422 0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 0.3922 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1655 0.6645 -2.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6196 -0.8974 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 1.1743 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -3.1092 1.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3526 -0.6192 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8304 -0.3468 -3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 -0.9885 -2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 -0.3318 -1.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3876 1.7400 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7787 -4.0900 1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2918 -4.1527 0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0535 0.9869 -1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 1.1454 -1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9981 -0.3199 -0.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3627 -0.1650 2.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9925 0.3965 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7752 2.0080 3.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 2.5677 2.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -0.2936 2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -1.8225 1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 -1.1951 -1.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0022 -2.1072 -0.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 1.6976 5.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 0.1207 4.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 0.6831 4.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0398 0.6628 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 1.1475 -2.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -1.9287 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 1.7727 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8645 -2.7884 2.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2038 -1.1193 -0.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -0.6357 -4.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4412 -1.7764 -3.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1897 -0.9184 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 2.7662 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -4.6772 2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0719 -4.7381 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 31 1 0 0 0 0 5 11 2 0 0 0 0 6 18 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 18 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 2 0 0 0 0 19 24 1 0 0 0 0 19 45 1 0 0 0 0 20 25 2 0 0 0 0 20 46 1 0 0 0 0 21 27 1 0 0 0 0 21 47 1 0 0 0 0 22 28 2 0 0 0 0 22 48 1 0 0 0 0 23 29 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 31 2 0 0 0 0 27 53 1 0 0 0 0 28 31 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 56 1 0 0 0 0 M END > 4085741 > 1.4 > 1 51 60 154 161 113 67 31 163 136 76 14 160 88 99 91 94 110 81 74 112 19 134 68 10 27 101 98 33 140 71 87 62 159 131 111 58 5 47 64 82 144 48 151 77 49 59 117 141 70 32 150 146 85 39 104 96 92 26 72 106 57 118 75 139 158 12 54 152 52 89 83 50 28 29 143 138 45 65 16 147 107 84 35 13 9 120 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13911987 19 18186512216041279141 13947920 24 18114457946424264079 14114206 34 17702360906872190669 14251757 5 18191023602349963406 14931854 50 18269534153359799503 15775530 1 17911788382701811744 17138139 8 18129074849535072759 17492 54 18261659442127456199 17909252 39 16988551438127092470 22393880 68 18199734860940556116 4015057 19 17822569391986790472 4258327 124 17532102759745070668 437795 70 18054774354988131407 4409770 3 18336552736456484650 469060 322 17750252433680270643 497634 4 17917433098825866061 563151 248 16843915012709379371 > 601.1 12.56 4.04 3.1 16.67 4.37 -2.28 -6.21 10.38 -2.03 -1.49 -3.84 -1.02 -1.5 > 1254.311 > 343.7 > 2 5 10 $$$$