5282150 -OEChem-04252408123D 71 75 0 1 0 0 0 0 0999 V2000 3.4654 -0.3843 0.6866 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 2.6114 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7405 -1.0371 -1.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 1.7723 1.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 0.6259 -0.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 3.7794 3.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6646 -2.1050 0.6434 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1262 -4.3348 1.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -4.5320 -1.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 4.6836 1.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 -0.3176 -0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 2.1003 -4.0254 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 1.5330 -3.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0108 -2.7045 3.3092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 1.0143 0.5345 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7176 1.7528 1.7786 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2248 3.1999 1.7951 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7516 -0.7470 0.1967 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2886 -1.9377 0.9887 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7240 1.2210 0.3236 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7182 3.2636 1.5336 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5091 -3.2111 0.6563 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4546 -3.4409 -0.8545 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9505 -2.1757 -1.5626 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2235 4.7028 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 -2.3056 -3.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0596 0.7148 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 0.1568 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 1.3645 -2.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 0.2503 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6277 1.4591 -2.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6155 0.8993 -2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 0.9816 -2.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5374 -0.2345 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 0.3572 -1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -0.8827 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6446 -1.4547 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -0.9262 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5049 -2.0664 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9774 -1.5379 2.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1713 -2.1080 2.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 1.3871 -0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 1.2190 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 3.7796 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 0.0668 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2457 -1.7503 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 0.7243 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 2.7699 2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4919 -3.1413 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4477 -3.7315 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -1.9839 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 5.2330 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 5.2597 2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 -1.3677 -3.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 -3.1056 -3.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 -2.5008 -3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 2.2549 2.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 3.2750 3.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7382 -2.1198 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -5.1240 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 -4.7794 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3138 4.1796 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6692 -0.3670 0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 1.7975 -3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 0.4317 -1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8706 2.1050 -4.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9302 -1.4625 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1974 -0.4825 2.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4299 -2.5112 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7133 -1.5656 3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7871 -3.0437 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 16 1 0 0 0 0 4 57 1 0 0 0 0 5 20 1 0 0 0 0 5 27 1 0 0 0 0 6 17 1 0 0 0 0 6 58 1 0 0 0 0 7 19 1 0 0 0 0 7 59 1 0 0 0 0 8 22 1 0 0 0 0 8 60 1 0 0 0 0 9 23 1 0 0 0 0 9 61 1 0 0 0 0 10 25 1 0 0 0 0 10 62 1 0 0 0 0 11 30 1 0 0 0 0 11 34 1 0 0 0 0 12 31 1 0 0 0 0 12 66 1 0 0 0 0 13 33 2 0 0 0 0 14 41 1 0 0 0 0 14 71 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 63 1 0 0 0 0 29 31 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 65 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 67 1 0 0 0 0 38 40 2 0 0 0 0 38 68 1 0 0 0 0 39 41 2 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 40 70 1 0 0 0 0 M END > 5282150 > 1.2 > 2 321 367 119 341 494 196 35 254 20 336 154 65 431 269 326 93 464 63 543 442 491 129 75 381 498 496 495 259 547 406 215 29 147 53 476 310 55 152 340 132 117 202 1 372 363 62 139 229 398 200 46 168 391 262 150 388 396 223 482 74 300 268 360 162 66 214 318 325 64 542 458 5 89 140 80 424 440 194 23 207 179 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2 15 16 17 20 21 rings 6 27 28 29 30 31 32 rings 6 3 18 19 22 23 24 rings 6 36 37 38 39 40 41 rings > 41 > 10 > 0 > 0 > 0 > 0 > 1 > 21 > 0050996600000002 > 136.253 > 127.039 > 10190108 129 18130791209288979368 10462674 369 18260557688389816302 10985338 15 17759530258808969772 11399510 152 18270962453392597217 117089 54 17603879892250511131 12342043 65 18260545610820089935 12623949 98 18260557757035342439 13673619 4 18260833695656517127 13782708 43 18260548927068014615 14017579 30 18270137712350726769 14950920 106 18131355245747046803 15082195 135 11097840917924311135 15131766 46 17556285500387166577 15324884 4 17970597831961191461 15392192 104 17975703002330305531 15950262 2 12750362927303295602 20505436 4 16915383436071940620 21796203 349 18059848438478876226 21814621 53 18410291403086372969 22033318 11 17202229381371367243 23559900 14 17968923193957455044 249057 25 16486964133899730437 394071 54 17774999094567852174 4408954 64 18054539965789685889 4435113 14 18259983738966821855 563151 74 17987234628167806425 6201320 77 18191602851978378115 6700243 42 17240755125761729326 86090 222 18260275160972447835 > 761.59 18.67 5.5 3.72 23.7 1.32 1.71 -20.52 -12.3 -9.12 -3.05 4.05 1.25 7.91 > 1655.417 > 409.3 > 2 5 10 $$$$