46971838 -OEChem-04242400503D 56 59 0 1 0 0 0 0 0999 V2000 -0.5003 1.9968 1.5408 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4115 1.6143 -0.4417 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 1.1661 -1.5539 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 -3.4300 0.0922 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2818 -0.6261 -0.4040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 -2.6394 0.8048 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 -1.0876 -0.0549 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2045 3.1092 0.9781 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4244 3.6826 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9908 4.0660 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6691 2.9037 0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7821 2.3668 2.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5787 2.6187 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5291 -0.2938 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3023 -0.4151 -1.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 1.0910 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8421 0.9764 -2.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4407 -1.6199 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3746 0.6383 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -1.4909 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 -0.7045 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2347 -2.4714 0.3626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 1.0053 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2305 -2.3828 0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -3.5359 1.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0427 -1.6804 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1337 -3.5734 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6895 0.0295 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3633 -1.3134 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3334 3.8746 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3412 2.9364 -1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9407 4.5548 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 4.3628 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9489 4.9334 0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 3.2171 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8454 2.1029 0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2373 1.4729 2.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 3.1036 2.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1670 3.4437 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 2.2122 1.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 -0.3029 1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2888 -1.0430 0.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 -1.1737 -2.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -0.5162 -2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9929 1.2909 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 1.8770 0.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 1.7601 -1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9715 1.0922 -3.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 -0.6518 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9634 2.0462 -0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 -0.3042 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1351 -4.3189 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8775 -2.7386 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 -4.3817 1.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7176 0.3149 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1389 -2.0720 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 24 2 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 18 2 0 0 0 0 6 27 1 0 0 0 0 7 21 1 0 0 0 0 7 24 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 23 2 0 0 0 0 20 22 2 0 0 0 0 20 49 1 0 0 0 0 21 26 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 M END > 46971838 > 1 > 1 66 148 138 80 96 132 150 119 59 23 34 155 47 54 15 115 157 95 58 111 53 136 86 12 151 127 145 142 57 81 135 60 120 100 154 64 36 11 90 143 55 152 61 103 110 82 24 72 89 63 41 65 45 43 44 91 116 9 109 27 74 18 48 70 156 14 39 76 122 159 130 140 124 75 88 105 30 87 144 113 10 26 129 79 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17905601112460062842 13402501 40 18270675497457302264 13560911 43 17679296373798554738 13617811 41 18260258677594827957 138480 1 13514311886772447385 14114211 68 18115894956234124102 14117953 113 16608851237751123316 14787075 74 18409728478222260103 14790565 3 17478614508394301553 14931854 50 18411422808244399436 14932702 115 17833857210428684804 15210252 30 18261674873998003588 15322687 12 18335419131346183645 16067689 134 17984433936578986337 161222 10 18052853323384993124 17093844 170 18197208368294209760 17492 54 18408610261816737364 17909252 39 17631185086968695822 19319366 153 18261105270824177779 20531524 4 17762626487773335612 20642791 35 18272646879277821993 20764821 26 18193835083440683600 2132832 1 17973426716476003698 23559900 14 18268704094842265549 238918 7 17337016565915606072 3052486 1 18411127031527707272 44344687 77 17335040739859405911 463206 1 18123473774078769368 469060 322 17753083684199428155 508706 21 17977376462621465234 5265222 85 16898494013767112965 5776283 40 18047479112438448572 > 558.39 10.2 5.46 1.48 3.64 1.13 0.19 -0.74 5.07 -0.97 -2.46 -1.44 0.48 -1.12 > 1188.696 > 307.5 > 2 5 10 $$$$