20885127 -OEChem-04182403493D 51 54 0 1 0 0 0 0 0999 V2000 4.2923 0.3184 1.8945 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 3.2122 -1.1778 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7102 0.7070 -2.0315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1225 1.9201 0.3623 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 1.2329 -1.1239 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4485 2.3506 -0.0190 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4881 1.2446 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2407 -0.0491 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8186 3.6175 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 -1.0986 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 2.3845 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3062 1.8367 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6315 1.2310 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4124 1.7774 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 0.8042 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1799 -2.0360 0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4164 -1.1319 -1.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4113 1.3746 1.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 0.8729 1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8828 -0.8715 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6913 -1.0361 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 0.4324 -1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1648 -3.0067 0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4014 -2.1026 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2756 -3.0399 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2231 -1.9792 -1.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -2.3115 1.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3582 -3.2439 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1651 -3.4101 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 2.5889 -1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5204 1.0039 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4834 1.6312 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2678 -0.4770 -0.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 0.1861 -1.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 1.2336 1.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8238 3.4402 1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 4.4200 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8109 3.9762 0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3259 2.1355 -1.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3201 -2.0188 1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5266 -0.4057 -2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 1.4332 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6969 0.5599 3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 1.8988 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0674 -3.7361 1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2667 -2.1283 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0427 -3.7955 0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3808 -1.8715 -2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6958 -2.4665 2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6166 -4.0962 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 -4.3928 1.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 22 2 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 35 1 0 0 0 0 5 13 1 0 0 0 0 5 22 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 16 23 1 0 0 0 0 16 40 1 0 0 0 0 17 24 2 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 2 0 0 0 0 21 27 2 0 0 0 0 23 25 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > 20885127 > 0.8 > 1 238 222 94 176 192 151 250 145 22 155 95 130 210 74 2 234 86 73 106 179 232 19 6 237 249 56 126 181 110 224 140 223 111 47 135 26 77 246 196 200 59 34 78 18 107 85 216 194 199 169 11 114 226 251 7 54 185 30 254 69 5 118 220 90 42 172 139 51 28 147 108 16 240 153 132 115 146 184 180 29 229 205 247 122 173 63 239 45 127 218 124 129 112 72 203 137 23 208 36 17 204 80 217 13 76 178 213 171 32 212 149 27 120 75 195 131 8 148 31 215 160 162 245 219 121 188 166 125 244 189 138 225 43 231 252 183 150 186 236 248 233 128 133 168 37 68 207 20 164 101 89 44 38 193 206 221 10 253 182 88 109 3 214 84 170 49 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18335135362972773455 10981352 41 17774717671199392799 117089 54 18340211795158191486 11796584 16 18126850391688837444 11809386 21 18411981326440527345 12422481 6 17489304166085468415 12623949 98 18272368693950862348 12661589 4 18343584049371351862 1361 4 18411141290703254078 13782708 43 17989484126327439221 14150023 24 17838343974364750809 14211702 104 18411979148396119275 14216079 64 18343297103065060047 14251764 30 18409447011988217839 14347332 77 18411980261145979337 14951699 99 10951757608276741610 15183329 4 18040997362474579179 15352257 5 18413672400835277359 15475509 35 18060132150611250450 15684393 108 18114185280573379111 16096371 109 11311518891111829173 16126227 98 7925914803641405479 20058555 10 9151175355303381223 20567600 247 18337392643454930906 20775438 99 17822017489206290802 21315759 148 18130777958618266016 21585481 104 17168136811665333437 21585483 132 17969492724128516538 21599406 157 17603301548954771135 229767 8 18128543669407917118 2838139 119 8935008036097438361 3459 39 9799417676859584125 439807 62 18409732855099798767 4435113 14 18200324199189258462 50009960 94 18118660181271865562 5104073 3 17632576033011693009 59682541 52 14996549681828594787 6712543 237 16200152132222204583 7970288 3 18338515361054958959 8863177 126 18273210872417822464 > 578.96 20.56 4.58 1.65 21.65 0.97 0.16 22.85 -3.79 3.24 0.16 -2.14 -0.06 -0.31 > 1244.242 > 318.2 > 2 5 10 $$$$