mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 3,600 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2113 -1.0410 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9956 1.1487 -1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8735 -0.4171 -1.2594 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2411 0.6530 -2.0271 C 0 0 0 0... |
rmd17_aspirin | 3,601 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0848 -1.0283 -0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7909 1.1235 -1.5177 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5649 -0.5244 -1.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9231 0.5421 -2.0606 C 0 0 0 0... |
rmd17_aspirin | 3,602 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0878 -1.3245 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3827 1.5226 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8506 -0.4569 -0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5850 0.9600 -0.9677 C 0 0 0 0... |
rmd17_aspirin | 3,603 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1046 -0.1944 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0238 1.6036 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0027 0.7324 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4732 1.6396 -0.9392 C 0 0 0 0... |
rmd17_aspirin | 3,604 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0121 -1.1587 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4714 1.4272 -0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8454 -0.4592 -0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5912 0.8820 -1.3357 C 0 0 0 0... |
rmd17_aspirin | 3,605 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2826 -0.4052 0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7443 1.6955 -0.6665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9010 0.7989 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1188 1.8514 -0.6220 C 0 0 0 0... |
rmd17_aspirin | 3,606 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0835 -0.9231 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4216 0.6462 -1.6263 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5339 -0.4095 -1.4413 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7578 0.4753 -2.0908 C 0 0 0 0... |
rmd17_aspirin | 3,607 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3535 -0.4317 -0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5678 1.8524 -0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9207 0.8706 -0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9495 2.0177 -0.1738 C 0 0 0 0... |
rmd17_aspirin | 3,608 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2882 -0.3501 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6507 1.7259 0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7128 1.0078 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9163 2.0333 0.1895 C 0 0 0 0... |
rmd17_aspirin | 3,609 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7271 -1.2560 -0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5809 1.4620 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8252 -0.5212 -0.7862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7883 0.8345 -0.8411 C 0 0 0 0... |
rmd17_aspirin | 3,610 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3549 -0.4373 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6789 1.7608 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9524 0.8620 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0592 1.8553 -0.0302 C 0 0 0 0... |
rmd17_aspirin | 3,611 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2603 -0.3805 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7088 1.7512 0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8677 0.8378 -0.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0707 1.9578 0.3244 C 0 0 0 0... |
rmd17_aspirin | 3,612 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1917 -0.2509 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7517 1.7513 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6331 1.0587 0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0051 2.0250 -0.2092 C 0 0 0 0... |
rmd17_aspirin | 3,613 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7573 -1.5137 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3164 1.3295 -0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5736 -0.5804 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4004 0.7876 -1.2633 C 0 0 0 0... |
rmd17_aspirin | 3,614 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9814 -1.0962 -0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7839 1.2566 -1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3828 -0.5676 -1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9251 0.6629 -2.0131 C 0 0 0 0... |
rmd17_aspirin | 3,615 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0011 -1.3107 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4386 1.3258 -0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8592 -0.5918 -1.0033 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5586 0.7022 -1.2899 C 0 0 0 0... |
rmd17_aspirin | 3,616 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0347 -1.0265 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9417 1.0737 -1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7476 -0.5553 -1.2395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2224 0.4835 -1.8975 C 0 0 0 0... |
rmd17_aspirin | 3,617 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1923 -1.0035 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7887 0.9878 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6423 -0.5177 -1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9833 0.5165 -2.0883 C 0 0 0 0... |
rmd17_aspirin | 3,618 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1630 -0.2946 -0.4301 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7618 1.7990 0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8107 0.8955 -0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 1.9924 0.4774 C 0 0 0 0... |
rmd17_aspirin | 3,619 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3182 -0.2786 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5589 1.7551 -0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7565 0.9262 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9404 2.0059 -0.5756 C 0 0 0 0... |
rmd17_aspirin | 3,620 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0420 -1.1126 -0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8420 1.1972 -1.5582 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5208 -0.5315 -1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9220 0.5414 -2.2242 C 0 0 0 0... |
rmd17_aspirin | 3,621 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3689 -0.3564 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8286 1.6699 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8055 0.8752 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2277 1.9527 0.7221 C 0 0 0 0... |
rmd17_aspirin | 3,622 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2463 -0.9647 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7973 1.1598 -1.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5928 -0.4788 -1.4898 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7762 0.5436 -2.0794 C 0 0 0 0... |
rmd17_aspirin | 3,623 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1971 -0.9643 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5866 0.8691 -1.7581 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5558 -0.4769 -1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7617 0.3383 -2.2186 C 0 0 0 0... |
rmd17_aspirin | 3,624 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8833 -1.2816 -0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6958 1.4931 -0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0133 -0.4730 -0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8803 0.9178 -0.7359 C 0 0 0 0... |
rmd17_aspirin | 3,625 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0543 -1.2885 -0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9905 1.1997 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5956 -0.6478 -1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1523 0.6684 -1.9778 C 0 0 0 0... |
rmd17_aspirin | 3,626 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9239 -1.2857 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0586 1.3043 -1.2154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6665 -0.5478 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2394 0.7398 -1.7644 C 0 0 0 0... |
rmd17_aspirin | 3,627 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9431 -1.1621 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8831 1.0616 -1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4976 -0.6482 -1.6197 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8771 0.4553 -2.2566 C 0 0 0 0... |
rmd17_aspirin | 3,628 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9802 -1.0970 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8544 1.0293 -1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4265 -0.6863 -1.4905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9146 0.4702 -2.1185 C 0 0 0 0... |
rmd17_aspirin | 3,629 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3180 -0.4360 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8309 2.0465 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9765 0.8078 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2343 2.0079 0.1896 C 0 0 0 0... |
rmd17_aspirin | 3,630 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1944 -1.0234 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6940 0.9905 -1.5765 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5400 -0.5136 -1.6167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7387 0.4554 -2.2361 C 0 0 0 0... |
rmd17_aspirin | 3,631 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1054 -1.0794 -0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9777 1.3595 -1.4451 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5218 -0.5592 -1.7688 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8647 0.5959 -2.2203 C 0 0 0 0... |
rmd17_aspirin | 3,632 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3098 -0.4519 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8300 1.9261 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8984 0.8154 0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1883 1.9796 0.2318 C 0 0 0 0... |
rmd17_aspirin | 3,633 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8707 -1.2696 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6742 1.4777 -0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9336 -0.5310 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9269 0.8930 -0.7670 C 0 0 0 0... |
rmd17_aspirin | 3,634 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9996 -1.1675 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7326 1.2305 -1.3627 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5426 -0.4312 -1.3941 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9022 0.7083 -1.9088 C 0 0 0 0... |
rmd17_aspirin | 3,635 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2466 -0.3217 0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7356 1.9028 -0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8647 0.8991 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1400 2.0558 -0.2520 C 0 0 0 0... |
rmd17_aspirin | 3,636 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0985 -0.9539 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7891 1.0228 -1.7069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7405 -0.4761 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9657 0.4677 -2.2022 C 0 0 0 0... |
rmd17_aspirin | 3,637 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1314 -0.3506 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0238 1.9993 0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0326 0.7770 0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3954 2.0171 0.2992 C 0 0 0 0... |
rmd17_aspirin | 3,638 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2451 -0.3935 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6855 1.8019 0.7988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8837 0.8654 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0131 1.9646 0.4169 C 0 0 0 0... |
rmd17_aspirin | 3,639 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2093 -0.2674 -0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8634 2.0352 0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9271 0.8906 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2624 1.9470 0.3329 C 0 0 0 0... |
rmd17_aspirin | 3,640 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2385 -0.9811 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6168 0.8238 -1.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6739 -0.5056 -1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9352 0.3710 -2.1670 C 0 0 0 0... |
rmd17_aspirin | 3,641 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0223 -1.0175 -0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9014 1.1744 -1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6790 -0.5603 -1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0031 0.4606 -2.2997 C 0 0 0 0... |
rmd17_aspirin | 3,642 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2142 -0.2934 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6610 0.8501 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8193 0.4383 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0355 1.0428 -1.9135 C 0 0 0 0... |
rmd17_aspirin | 3,643 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1850 -0.3583 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8373 1.8126 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8053 0.9541 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1406 2.0075 0.4658 C 0 0 0 0... |
rmd17_aspirin | 3,644 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1246 -1.1286 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8855 1.0347 -1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6918 -0.5133 -1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1033 0.6712 -2.0164 C 0 0 0 0... |
rmd17_aspirin | 3,645 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3498 -0.3015 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6067 1.8532 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7703 0.8559 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9484 1.9702 -0.5835 C 0 0 0 0... |
rmd17_aspirin | 3,646 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1418 -0.4063 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7345 0.8412 -1.9335 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8705 0.2021 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1365 0.7984 -2.0626 C 0 0 0 0... |
rmd17_aspirin | 3,647 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2284 -0.2939 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9927 2.0194 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9797 0.8514 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3743 2.0106 0.5277 C 0 0 0 0... |
rmd17_aspirin | 3,648 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8382 -1.2037 -0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0295 1.2847 -1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4955 -0.6969 -1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1062 0.5958 -1.9591 C 0 0 0 0... |
rmd17_aspirin | 3,649 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1966 -1.1303 -0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6497 0.8257 -1.7014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6803 -0.6330 -1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 0.3419 -2.1512 C 0 0 0 0... |
rmd17_aspirin | 3,650 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1665 -0.3064 0.4323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8014 1.8094 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7196 1.0067 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0869 2.0563 -0.1968 C 0 0 0 0... |
rmd17_aspirin | 3,651 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1186 -0.4362 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7214 1.1590 -1.7654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7859 0.1873 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1404 1.0161 -1.8474 C 0 0 0 0... |
rmd17_aspirin | 3,652 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5868 -1.5150 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9022 1.0907 -1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4237 -0.8142 -1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0635 0.4638 -1.9529 C 0 0 0 0... |
rmd17_aspirin | 3,653 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3308 -0.3964 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6284 1.7605 -0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8828 0.9614 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9938 2.0212 -0.0449 C 0 0 0 0... |
rmd17_aspirin | 3,654 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2917 -0.8528 -0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9214 1.1537 -1.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6595 -0.4536 -1.4924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0705 0.6358 -2.0914 C 0 0 0 0... |
rmd17_aspirin | 3,655 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8303 -1.3319 -0.3038 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3952 1.4678 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8435 -0.4328 -0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5719 0.8747 -0.8867 C 0 0 0 0... |
rmd17_aspirin | 3,656 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3718 -0.3853 -0.1955 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5633 1.7450 0.5206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8787 0.9200 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9337 2.0360 0.3785 C 0 0 0 0... |
rmd17_aspirin | 3,657 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0107 -1.1430 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8633 1.1280 -1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4733 -0.6673 -1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9966 0.5768 -2.1498 C 0 0 0 0... |
rmd17_aspirin | 3,658 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1536 -1.0659 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6764 1.0057 -1.3932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6552 -0.3319 -1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8984 0.6603 -1.8682 C 0 0 0 0... |
rmd17_aspirin | 3,659 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1582 -0.1252 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9345 1.6710 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9640 0.9023 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2754 1.8383 -0.7986 C 0 0 0 0... |
rmd17_aspirin | 3,660 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8454 -1.3339 -0.1599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5480 1.3899 -0.7112 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8139 -0.6712 -0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6901 0.6614 -1.1977 C 0 0 0 0... |
rmd17_aspirin | 3,661 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3401 -0.4233 -0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6636 1.7451 0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8817 0.7990 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0785 1.8844 0.7656 C 0 0 0 0... |
rmd17_aspirin | 3,662 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3306 -0.3720 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9639 1.9865 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0584 0.8041 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2981 2.0039 -0.2345 C 0 0 0 0... |
rmd17_aspirin | 3,663 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1500 -0.2857 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9216 1.8315 -0.7036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9446 0.8323 0.1331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3178 1.9867 -0.2358 C 0 0 0 0... |
rmd17_aspirin | 3,664 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9210 -1.1087 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0101 1.3360 -1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4431 -0.5313 -1.5123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1068 0.7336 -1.9450 C 0 0 0 0... |
rmd17_aspirin | 3,665 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0186 -1.0614 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8481 1.1458 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5065 -0.5978 -1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0084 0.5632 -2.0983 C 0 0 0 0... |
rmd17_aspirin | 3,666 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9805 -1.3357 -0.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6017 1.3860 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9598 -0.6185 -0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8222 0.7787 -0.8604 C 0 0 0 0... |
rmd17_aspirin | 3,667 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3670 -0.3864 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 2.0435 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0672 0.8738 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3812 2.1003 -0.1184 C 0 0 0 0... |
rmd17_aspirin | 3,668 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8671 -1.3581 -0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2356 1.2397 -0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7052 -0.5839 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3487 0.7532 -1.3450 C 0 0 0 0... |
rmd17_aspirin | 3,669 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9539 -0.9226 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9632 1.1748 -1.5832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7203 -0.5011 -1.3146 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1313 0.5517 -2.0440 C 0 0 0 0... |
rmd17_aspirin | 3,670 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2945 -0.3535 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9718 1.9578 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9203 0.7946 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2798 2.0147 -0.4364 C 0 0 0 0... |
rmd17_aspirin | 3,671 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1073 -1.0747 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8325 1.1374 -1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6752 -0.6176 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9517 0.5333 -2.0472 C 0 0 0 0... |
rmd17_aspirin | 3,672 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0860 -1.1583 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9214 1.1697 -1.5773 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6545 -0.5453 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0700 0.5323 -2.1038 C 0 0 0 0... |
rmd17_aspirin | 3,673 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2047 -0.6417 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7027 1.3085 -1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7414 0.3423 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0194 1.2803 -1.7555 C 0 0 0 0... |
rmd17_aspirin | 3,674 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2389 -0.9508 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7508 0.7854 -1.7347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7630 -0.6517 -1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0786 0.2253 -1.9881 C 0 0 0 0... |
rmd17_aspirin | 3,675 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9760 -1.1770 -0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6122 1.1168 -1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3816 -0.5128 -1.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7941 0.6286 -2.1344 C 0 0 0 0... |
rmd17_aspirin | 3,676 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8318 -1.3788 -0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6399 1.5119 -0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8625 -0.5594 -0.9275 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7692 0.8734 -1.0183 C 0 0 0 0... |
rmd17_aspirin | 3,677 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9357 -1.3313 -0.5464 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.9138 -1.5576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6229 -0.5355 -1.4503 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9330 0.5932 -1.9921 C 0 0 0 0... |
rmd17_aspirin | 3,678 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2561 -0.6413 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8061 0.6610 -1.9417 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9625 0.0031 -1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2153 0.6740 -2.0090 C 0 0 0 0... |
rmd17_aspirin | 3,679 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8886 -1.3233 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5969 1.4839 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8512 -0.4493 -0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7246 0.9618 -0.8499 C 0 0 0 0... |
rmd17_aspirin | 3,680 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2520 -0.4295 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8215 1.8542 -0.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8418 0.7800 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1188 1.9373 -0.2946 C 0 0 0 0... |
rmd17_aspirin | 3,681 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4976 -1.4388 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8541 0.9668 -2.0041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2341 -1.0047 -1.7989 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8426 0.1805 -2.5551 C 0 0 0 0... |
rmd17_aspirin | 3,682 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1778 -0.4258 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 1.9922 -0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9242 0.8021 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2110 2.0036 0.0307 C 0 0 0 0... |
rmd17_aspirin | 3,683 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8870 -1.3781 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6515 0.9728 -1.6014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5541 -0.6643 -1.5217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9100 0.4858 -2.0758 C 0 0 0 0... |
rmd17_aspirin | 3,684 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2669 -0.3389 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6258 1.7287 0.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8236 0.8141 0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9605 1.8987 0.7090 C 0 0 0 0... |
rmd17_aspirin | 3,685 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3049 -0.2612 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6722 1.8220 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9192 0.9549 -0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0513 2.0401 -0.5114 C 0 0 0 0... |
rmd17_aspirin | 3,686 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9670 -1.1460 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6442 1.5219 -0.6876 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9984 -0.5225 -0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 0.8527 -1.0652 C 0 0 0 0... |
rmd17_aspirin | 3,687 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0117 -0.9192 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1193 1.1727 -1.8623 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9618 -0.2538 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4400 0.7202 -1.8710 C 0 0 0 0... |
rmd17_aspirin | 3,688 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0539 0.4220 1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8362 1.0838 -1.3754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5259 1.5099 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 1.8046 -0.9390 C 0 0 0 0... |
rmd17_aspirin | 3,689 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7181 -1.4860 -0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8498 0.9757 -1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4815 -0.7029 -1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0460 0.4685 -2.1013 C 0 0 0 0... |
rmd17_aspirin | 3,690 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7437 -1.2055 -0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2887 1.4585 -1.2567 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5944 -0.5618 -1.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5122 0.8772 -1.6005 C 0 0 0 0... |
rmd17_aspirin | 3,691 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8903 -1.2317 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0137 1.2080 -1.6522 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5971 -0.7347 -1.5612 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1286 0.4148 -2.1181 C 0 0 0 0... |
rmd17_aspirin | 3,692 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4731 -0.4423 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7458 1.8346 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0684 0.7850 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1355 1.9235 0.3335 C 0 0 0 0... |
rmd17_aspirin | 3,693 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0558 -1.1342 -0.3624 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6689 0.8915 -1.6755 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4838 -0.6722 -1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7861 0.3375 -2.2515 C 0 0 0 0... |
rmd17_aspirin | 3,694 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8926 -1.3117 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1972 1.2089 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7537 -0.5444 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3965 0.7227 -1.3931 C 0 0 0 0... |
rmd17_aspirin | 3,695 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3200 -0.3829 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8501 1.9370 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0138 0.8619 0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2505 2.0579 0.1029 C 0 0 0 0... |
rmd17_aspirin | 3,696 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2878 -0.4024 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9120 1.9217 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9274 0.8142 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2139 1.9870 -0.1485 C 0 0 0 0... |
rmd17_aspirin | 3,697 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1325 -1.0424 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6433 0.9369 -1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6518 -0.3412 -1.2943 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9233 0.6848 -1.9163 C 0 0 0 0... |
rmd17_aspirin | 3,698 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1070 -0.9446 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3975 0.5651 -1.7213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6008 -0.4358 -1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6833 0.3337 -2.1398 C 0 0 0 0... |
rmd17_aspirin | 3,699 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2265 -0.3378 -0.1198 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7895 2.0133 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9140 0.8347 -0.2356 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 1.9897 -0.3418 C 0 0 0 0... |
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