mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 2,300 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8108 -1.2254 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6222 1.5053 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9481 -0.5129 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8188 0.8481 -0.9111 C 0 0 0 0... |
rmd17_aspirin | 2,301 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0607 -0.9943 -0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 1.0325 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7798 -0.4781 -1.4785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1602 0.6034 -2.0962 C 0 0 0 0... |
rmd17_aspirin | 2,302 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2525 -0.3989 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8683 1.9036 -0.7637 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 0.8720 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2732 1.9548 -0.4347 C 0 0 0 0... |
rmd17_aspirin | 2,303 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1793 -0.3997 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7982 2.0746 0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8486 0.8330 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1150 2.0202 0.0697 C 0 0 0 0... |
rmd17_aspirin | 2,304 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2028 -0.8744 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7993 0.9612 -1.6873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7136 -0.3792 -1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9709 0.4412 -2.1769 C 0 0 0 0... |
rmd17_aspirin | 2,305 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7953 -1.3538 -0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4294 1.4005 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 -0.5822 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4299 0.7482 -1.3539 C 0 0 0 0... |
rmd17_aspirin | 2,306 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3049 -0.1876 -0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 1.5948 1.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9663 0.9655 0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1074 1.9613 0.8060 C 0 0 0 0... |
rmd17_aspirin | 2,307 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0814 -0.9961 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7019 0.9718 -1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5214 -0.5808 -1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9042 0.4832 -2.2035 C 0 0 0 0... |
rmd17_aspirin | 2,308 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8696 -1.2716 -0.4669 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6838 1.0389 -1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5287 -0.5590 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9360 0.6599 -1.8852 C 0 0 0 0... |
rmd17_aspirin | 2,309 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2366 -1.0750 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8166 1.0177 -1.5128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6332 -0.5837 -1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9228 0.4395 -2.1392 C 0 0 0 0... |
rmd17_aspirin | 2,310 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9049 -1.4166 -0.3703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2542 1.3822 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9093 -0.5726 -0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4642 0.7459 -1.1315 C 0 0 0 0... |
rmd17_aspirin | 2,311 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3145 -0.4939 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8526 1.9156 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9794 0.7745 0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2166 2.0141 0.2397 C 0 0 0 0... |
rmd17_aspirin | 2,312 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2422 -0.6402 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5887 0.1426 -2.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8410 -0.2511 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0020 0.1752 -2.2905 C 0 0 0 0... |
rmd17_aspirin | 2,313 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6777 -1.3771 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7220 1.0968 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3417 -0.6825 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.6260 -2.1598 C 0 0 0 0... |
rmd17_aspirin | 2,314 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8285 -1.2198 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8578 1.2147 -1.5015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2687 -0.7259 -1.6811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9473 0.5324 -2.1665 C 0 0 0 0... |
rmd17_aspirin | 2,315 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0657 -1.0609 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8043 1.0272 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4824 -0.7327 -1.6778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9052 0.4011 -2.2299 C 0 0 0 0... |
rmd17_aspirin | 2,316 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1986 -0.4271 0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6859 1.8938 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8254 0.8429 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0347 1.9910 0.1109 C 0 0 0 0... |
rmd17_aspirin | 2,317 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1842 -0.4713 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4900 0.1408 -2.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7474 -0.1917 -1.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9255 -0.0000 -2.3398 C 0 0 0 0... |
rmd17_aspirin | 2,318 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2021 -0.4547 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6656 1.8304 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8134 0.7942 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0314 1.8384 0.0421 C 0 0 0 0... |
rmd17_aspirin | 2,319 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3369 -0.3382 0.1591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7446 1.9498 -0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 0.9466 0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1286 2.0756 -0.3155 C 0 0 0 0... |
rmd17_aspirin | 2,320 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7386 -1.2240 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7980 1.0632 -1.6514 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2694 -0.9019 -1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 0.2512 -2.3169 C 0 0 0 0... |
rmd17_aspirin | 2,321 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7803 -1.3978 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5342 0.9126 -1.7119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4711 -0.5426 -1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8528 0.4918 -2.1346 C 0 0 0 0... |
rmd17_aspirin | 2,322 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0322 -1.2068 -0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7467 0.9440 -1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4662 -0.7606 -1.6542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7435 0.2979 -2.2730 C 0 0 0 0... |
rmd17_aspirin | 2,323 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0203 -1.1171 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7097 0.9200 -1.6374 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 -0.5432 -1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8898 0.5211 -2.1942 C 0 0 0 0... |
rmd17_aspirin | 2,324 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3109 -0.3364 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8833 1.3656 -1.5289 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0175 0.5660 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2807 1.4419 -1.3789 C 0 0 0 0... |
rmd17_aspirin | 2,325 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2953 -0.2855 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6975 1.8015 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7754 1.0120 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9763 2.0058 -0.1367 C 0 0 0 0... |
rmd17_aspirin | 2,326 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6425 -1.4850 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7668 1.0941 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4016 -0.5890 -1.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8746 0.6792 -1.9823 C 0 0 0 0... |
rmd17_aspirin | 2,327 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3330 -0.3633 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8501 1.9526 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8902 0.9136 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1963 2.0553 0.0187 C 0 0 0 0... |
rmd17_aspirin | 2,328 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9526 -1.3466 -0.5715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 0.8305 -1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6183 -0.4814 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9290 0.5271 -2.0517 C 0 0 0 0... |
rmd17_aspirin | 2,329 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2685 -0.2439 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9173 1.8118 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9640 0.9883 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2094 2.0632 -0.3039 C 0 0 0 0... |
rmd17_aspirin | 2,330 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1756 -0.4416 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7692 1.9144 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7658 0.8452 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0275 2.0354 0.0665 C 0 0 0 0... |
rmd17_aspirin | 2,331 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4094 -0.4377 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7501 1.7532 0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9792 0.8423 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1096 2.0368 0.3162 C 0 0 0 0... |
rmd17_aspirin | 2,332 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9819 -1.2724 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7099 1.5545 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0331 -0.5462 -0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8992 0.8280 -0.9886 C 0 0 0 0... |
rmd17_aspirin | 2,333 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3074 -0.4796 0.0977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6236 1.7373 0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8199 0.8007 0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9968 1.9187 0.1858 C 0 0 0 0... |
rmd17_aspirin | 2,334 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5985 -1.4655 -0.7578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7737 0.9359 -1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4363 -0.8595 -1.7239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0268 0.4299 -2.0956 C 0 0 0 0... |
rmd17_aspirin | 2,335 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9009 -1.2300 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4665 1.5050 -1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9348 -0.5177 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6837 0.8479 -1.3098 C 0 0 0 0... |
rmd17_aspirin | 2,336 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9725 -0.9940 -0.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7467 0.8064 -1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6270 -0.6004 -1.3661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9207 0.2101 -2.1430 C 0 0 0 0... |
rmd17_aspirin | 2,337 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2464 -0.5898 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6833 1.4404 -1.6038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8140 0.1032 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0741 1.1829 -1.9813 C 0 0 0 0... |
rmd17_aspirin | 2,338 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8724 -1.2687 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5655 1.4018 -0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9896 -0.5205 -0.5947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7891 0.8359 -0.9093 C 0 0 0 0... |
rmd17_aspirin | 2,339 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2814 -0.4657 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6713 1.8330 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8823 0.7824 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0934 1.9131 0.0359 C 0 0 0 0... |
rmd17_aspirin | 2,340 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2702 -0.5654 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8382 0.7778 -1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9256 -0.2251 -1.0696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1548 0.3358 -2.0908 C 0 0 0 0... |
rmd17_aspirin | 2,341 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9712 -1.2872 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3945 1.3770 -0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8826 -0.4138 -0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6743 0.9423 -0.9228 C 0 0 0 0... |
rmd17_aspirin | 2,342 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2173 -0.3680 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8867 2.0033 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0294 0.8361 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2908 2.0577 -0.3171 C 0 0 0 0... |
rmd17_aspirin | 2,343 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2823 -0.3999 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7177 1.9235 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8982 0.8592 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0969 2.0194 -0.0697 C 0 0 0 0... |
rmd17_aspirin | 2,344 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8832 -1.2332 -0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0307 1.2521 -1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5578 -0.6843 -1.4242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1586 0.5605 -1.9462 C 0 0 0 0... |
rmd17_aspirin | 2,345 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9505 -1.2454 -0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1934 1.3582 -0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8102 -0.3785 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4494 0.9172 -1.0134 C 0 0 0 0... |
rmd17_aspirin | 2,346 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3944 -0.5367 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5293 0.5583 -1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8105 0.3811 -1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8893 0.8948 -1.8851 C 0 0 0 0... |
rmd17_aspirin | 2,347 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9217 -1.2293 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6175 1.4193 -0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9981 -0.5972 -0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 0.7383 -0.9740 C 0 0 0 0... |
rmd17_aspirin | 2,348 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3695 -0.4869 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8944 1.8408 0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9787 0.8101 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2386 2.0469 0.0252 C 0 0 0 0... |
rmd17_aspirin | 2,349 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1894 -0.4913 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7107 1.2925 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8177 0.2011 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0430 1.0372 -1.9956 C 0 0 0 0... |
rmd17_aspirin | 2,350 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1928 -1.0478 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6973 0.9635 -1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5593 -0.4397 -1.6146 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7609 0.4542 -2.2486 C 0 0 0 0... |
rmd17_aspirin | 2,351 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1490 -0.2324 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8125 0.7710 -2.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 0.6070 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1833 1.0037 -1.9483 C 0 0 0 0... |
rmd17_aspirin | 2,352 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3619 -0.0679 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8020 1.2640 -1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8711 1.0609 -0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1027 1.6739 -1.3162 C 0 0 0 0... |
rmd17_aspirin | 2,353 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1261 -0.9925 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6347 0.7076 -1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5946 -0.6340 -1.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8878 0.2573 -2.1595 C 0 0 0 0... |
rmd17_aspirin | 2,354 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2863 -0.3720 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8930 1.7648 -0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0003 0.8419 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2967 1.9315 -0.6016 C 0 0 0 0... |
rmd17_aspirin | 2,355 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2681 -0.3784 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8621 1.9318 -0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9046 0.8424 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1460 2.0025 -0.2361 C 0 0 0 0... |
rmd17_aspirin | 2,356 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3685 -0.4648 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7121 1.8129 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8703 0.8538 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1090 1.9891 -0.1069 C 0 0 0 0... |
rmd17_aspirin | 2,357 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2068 -0.5824 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6174 0.2995 -2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7470 -0.3552 -1.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9812 0.1974 -2.2626 C 0 0 0 0... |
rmd17_aspirin | 2,358 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1835 -0.9471 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7501 1.0475 -1.6571 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5872 -0.5166 -1.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9573 0.4763 -2.1564 C 0 0 0 0... |
rmd17_aspirin | 2,359 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8872 -1.3278 -0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6132 1.4186 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9324 -0.4180 -0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8350 0.9811 -0.7187 C 0 0 0 0... |
rmd17_aspirin | 2,360 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2165 -0.3444 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8712 1.7296 -0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7915 0.9198 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1468 1.9903 -0.4367 C 0 0 0 0... |
rmd17_aspirin | 2,361 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2423 -0.3583 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8757 1.8342 0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9852 0.8299 0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 1.8743 0.7372 C 0 0 0 0... |
rmd17_aspirin | 2,362 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2869 -0.3009 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9706 1.9740 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9316 0.8416 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3122 2.0402 0.4208 C 0 0 0 0... |
rmd17_aspirin | 2,363 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3012 -0.2404 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5526 1.7143 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8473 0.9885 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9748 1.9355 -0.6395 C 0 0 0 0... |
rmd17_aspirin | 2,364 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2909 -0.3247 0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8607 1.7727 -0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9771 0.7449 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2239 1.8332 -0.8137 C 0 0 0 0... |
rmd17_aspirin | 2,365 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3077 -0.7929 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6378 0.7614 -1.7369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8134 -0.0785 -1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0461 0.6757 -1.9083 C 0 0 0 0... |
rmd17_aspirin | 2,366 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2784 -0.2862 0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9202 1.6943 -0.9116 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9479 0.7967 -0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2939 1.8534 -0.8328 C 0 0 0 0... |
rmd17_aspirin | 2,367 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2550 -0.3310 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8480 1.9310 -0.4394 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9295 0.8671 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2166 1.9555 -0.3451 C 0 0 0 0... |
rmd17_aspirin | 2,368 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2844 -0.4682 0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6087 1.1734 -1.5204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8821 0.4494 -0.7761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0627 1.2472 -1.5915 C 0 0 0 0... |
rmd17_aspirin | 2,369 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9462 -1.2993 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4193 1.4234 -0.8886 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8889 -0.5644 -0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5879 0.7717 -1.3800 C 0 0 0 0... |
rmd17_aspirin | 2,370 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0560 -1.2424 -0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9773 1.1059 -1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7233 -0.4637 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2112 0.6985 -1.7116 C 0 0 0 0... |
rmd17_aspirin | 2,371 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0118 -1.1154 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7041 0.9873 -1.5636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4691 -0.6977 -1.5438 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7732 0.4053 -2.2035 C 0 0 0 0... |
rmd17_aspirin | 2,372 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6985 -1.4141 -0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9320 1.0087 -1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4687 -0.8157 -1.6436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0527 0.4226 -2.0792 C 0 0 0 0... |
rmd17_aspirin | 2,373 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2881 -0.2360 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5444 1.4157 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8320 0.8934 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9089 1.7470 -1.0234 C 0 0 0 0... |
rmd17_aspirin | 2,374 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8524 -1.3023 -0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 1.4871 -0.5476 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8831 -0.4643 -1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6197 0.9004 -1.1230 C 0 0 0 0... |
rmd17_aspirin | 2,375 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2506 -0.2736 -0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8799 1.8827 1.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9537 0.8801 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2275 1.9836 0.6731 C 0 0 0 0... |
rmd17_aspirin | 2,376 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4674 -1.6827 -0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0901 1.0803 -1.2014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3189 -0.9578 -1.5939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1883 0.4038 -1.7756 C 0 0 0 0... |
rmd17_aspirin | 2,377 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2550 -0.3102 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6925 2.0137 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8413 0.9366 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0989 2.1484 -0.2917 C 0 0 0 0... |
rmd17_aspirin | 2,378 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6695 -1.4087 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3358 1.3449 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5529 -0.5259 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4095 0.8904 -1.2997 C 0 0 0 0... |
rmd17_aspirin | 2,379 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4003 -0.4287 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8557 1.9885 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9894 0.8379 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2495 2.0582 0.2019 C 0 0 0 0... |
rmd17_aspirin | 2,380 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2047 -0.3474 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7005 1.8823 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7939 0.8900 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0737 1.9604 0.2104 C 0 0 0 0... |
rmd17_aspirin | 2,381 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9358 -1.2541 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8967 1.1912 -1.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5085 -0.5901 -1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9319 0.5363 -2.0239 C 0 0 0 0... |
rmd17_aspirin | 2,382 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6413 -1.5445 -0.8795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7229 0.9301 -1.8867 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 -0.8274 -1.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9408 0.4178 -2.1577 C 0 0 0 0... |
rmd17_aspirin | 2,383 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2150 -0.3414 0.3205 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8093 1.7697 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7804 0.9014 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0943 1.9744 -0.4775 C 0 0 0 0... |
rmd17_aspirin | 2,384 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8958 -1.0869 -0.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8063 1.1523 -1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5056 -0.6317 -1.4877 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9564 0.4793 -2.1262 C 0 0 0 0... |
rmd17_aspirin | 2,385 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2685 -0.3277 0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6253 1.8378 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8244 0.9134 -0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9921 1.9852 -0.2067 C 0 0 0 0... |
rmd17_aspirin | 2,386 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4311 -0.3352 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4659 1.8240 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7053 0.9541 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8382 2.0860 -0.3705 C 0 0 0 0... |
rmd17_aspirin | 2,387 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3461 -0.2220 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5002 1.6445 -0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8395 1.0235 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9373 1.8898 -0.6403 C 0 0 0 0... |
rmd17_aspirin | 2,388 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1136 -1.0567 -0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0799 1.0975 -1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8281 -0.4142 -1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3235 0.5890 -1.8723 C 0 0 0 0... |
rmd17_aspirin | 2,389 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0949 -1.0316 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6750 1.0467 -1.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6128 -0.4426 -1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9564 0.6792 -1.9806 C 0 0 0 0... |
rmd17_aspirin | 2,390 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0245 -1.0466 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1839 1.3926 -1.3419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8415 -0.4748 -1.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4200 0.7995 -1.6745 C 0 0 0 0... |
rmd17_aspirin | 2,391 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9777 -1.0466 -0.2006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1270 1.2654 -1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7375 -0.5141 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3188 0.6444 -1.8747 C 0 0 0 0... |
rmd17_aspirin | 2,392 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0155 -1.2201 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9503 1.2595 -1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4715 -0.5436 -1.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9579 0.6508 -2.0455 C 0 0 0 0... |
rmd17_aspirin | 2,393 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1763 -1.0923 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6708 0.8367 -1.7021 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7812 -0.3151 -1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9747 0.4993 -2.1459 C 0 0 0 0... |
rmd17_aspirin | 2,394 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2987 -0.3869 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 1.8507 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8647 0.8422 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0454 2.0083 -0.2496 C 0 0 0 0... |
rmd17_aspirin | 2,395 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9136 -1.2657 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3452 1.3760 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7834 -0.5245 -0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5074 0.7770 -1.3653 C 0 0 0 0... |
rmd17_aspirin | 2,396 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2458 -0.5769 -0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6747 1.3485 -1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8113 0.3033 -1.1707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0657 1.3581 -1.7568 C 0 0 0 0... |
rmd17_aspirin | 2,397 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7028 -1.2967 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6089 1.5533 -0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7241 -0.5659 -0.9489 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7114 0.8318 -1.0258 C 0 0 0 0... |
rmd17_aspirin | 2,398 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8419 -1.3616 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8584 1.1109 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2458 -0.7800 -1.7425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9113 0.4697 -2.2001 C 0 0 0 0... |
rmd17_aspirin | 2,399 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3232 -0.4620 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8077 1.8727 0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9246 0.8166 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2243 2.0337 0.4021 C 0 0 0 0... |
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