mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 1,400 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2444 -0.2789 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7724 1.9966 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8318 0.9362 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0917 2.1457 -0.2686 C 0 0 0 0... |
rmd17_aspirin | 1,401 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3438 -0.0189 0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9432 1.5802 -1.1583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9716 0.9926 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2108 1.8971 -0.7927 C 0 0 0 0... |
rmd17_aspirin | 1,402 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4760 -1.6828 -0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0572 1.0894 -1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3888 -0.9485 -1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1630 0.4436 -1.7836 C 0 0 0 0... |
rmd17_aspirin | 1,403 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2451 -0.4674 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8712 1.9020 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8493 0.7563 -0.0601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2042 1.9287 0.3028 C 0 0 0 0... |
rmd17_aspirin | 1,404 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5937 -1.4866 -0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7853 0.9681 -1.8521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4000 -0.8400 -1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9160 0.3275 -2.3641 C 0 0 0 0... |
rmd17_aspirin | 1,405 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0442 -1.0724 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7030 0.8092 -1.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5669 -0.6859 -1.3504 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8503 0.2919 -2.1932 C 0 0 0 0... |
rmd17_aspirin | 1,406 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6488 -1.2322 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8726 1.2967 -1.5695 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0686 -0.8188 -1.8908 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7355 0.4522 -2.3542 C 0 0 0 0... |
rmd17_aspirin | 1,407 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1079 -1.1935 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6561 0.9757 -1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6062 -0.5649 -1.4680 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9080 0.5384 -2.1103 C 0 0 0 0... |
rmd17_aspirin | 1,408 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1705 -1.0370 -0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7131 1.0686 -1.5502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7186 -0.3793 -1.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9969 0.6904 -1.9723 C 0 0 0 0... |
rmd17_aspirin | 1,409 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3070 -0.3723 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6134 1.7551 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8174 0.9580 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9752 2.0644 -0.1599 C 0 0 0 0... |
rmd17_aspirin | 1,410 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7771 -1.2685 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9446 1.1969 -1.6097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4878 -0.7283 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9819 0.4233 -2.2119 C 0 0 0 0... |
rmd17_aspirin | 1,411 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0279 -1.0681 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7313 0.9911 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5399 -0.5767 -1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9054 0.5337 -2.1812 C 0 0 0 0... |
rmd17_aspirin | 1,412 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8813 -1.2536 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8712 1.2467 -1.5301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2767 -0.6899 -1.6550 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8235 0.4989 -2.1024 C 0 0 0 0... |
rmd17_aspirin | 1,413 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4631 -1.6442 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9592 1.0460 -1.7592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2676 -0.9395 -1.9257 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9781 0.3622 -2.3793 C 0 0 0 0... |
rmd17_aspirin | 1,414 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2555 -0.3633 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8551 1.9911 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9258 0.8574 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2192 2.0856 0.0304 C 0 0 0 0... |
rmd17_aspirin | 1,415 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1700 -0.4062 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8899 1.7397 -0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9062 0.7748 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1982 1.8474 -0.5804 C 0 0 0 0... |
rmd17_aspirin | 1,416 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0718 -1.2766 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8873 1.1672 -1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5900 -0.5917 -1.5718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1300 0.6321 -2.0105 C 0 0 0 0... |
rmd17_aspirin | 1,417 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2616 -0.3723 0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8191 1.6143 -0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9397 0.7853 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2483 1.7832 -0.6029 C 0 0 0 0... |
rmd17_aspirin | 1,418 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8251 -1.2527 -0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7013 1.4710 -0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9652 -0.5406 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8722 0.8583 -0.8104 C 0 0 0 0... |
rmd17_aspirin | 1,419 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2072 -0.9656 -0.1479 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8109 1.1826 -1.6199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6109 -0.5446 -1.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9934 0.6487 -2.0582 C 0 0 0 0... |
rmd17_aspirin | 1,420 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3849 -0.3789 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8486 2.0107 -0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9783 0.8645 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2959 2.1111 -0.0115 C 0 0 0 0... |
rmd17_aspirin | 1,421 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9022 -1.4053 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4682 1.4684 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9071 -0.4963 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6406 0.8590 -0.8526 C 0 0 0 0... |
rmd17_aspirin | 1,422 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3572 -0.4018 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8560 1.9088 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0012 0.7717 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1927 1.9879 0.2584 C 0 0 0 0... |
rmd17_aspirin | 1,423 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6716 -1.2402 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0685 1.2975 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5440 -0.6779 -1.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1006 0.5069 -2.0595 C 0 0 0 0... |
rmd17_aspirin | 1,424 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9688 -1.1395 -0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9585 1.3369 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6233 -0.4061 -1.4036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1331 0.8023 -1.8787 C 0 0 0 0... |
rmd17_aspirin | 1,425 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8653 -1.1524 -0.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9055 1.2496 -1.4414 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6011 -0.6141 -1.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1182 0.6426 -2.0545 C 0 0 0 0... |
rmd17_aspirin | 1,426 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1963 -0.1467 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6033 0.8109 -1.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8427 0.6323 -0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9926 0.9780 -1.9156 C 0 0 0 0... |
rmd17_aspirin | 1,427 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8108 -1.4686 -0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6159 0.9548 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5032 -0.5406 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8968 0.5518 -2.2849 C 0 0 0 0... |
rmd17_aspirin | 1,428 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9028 -1.2529 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3318 1.4640 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8049 -0.3473 -1.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4602 1.0832 -1.0002 C 0 0 0 0... |
rmd17_aspirin | 1,429 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3136 -0.3880 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7356 2.0673 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9158 0.8276 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1757 2.0393 -0.3727 C 0 0 0 0... |
rmd17_aspirin | 1,430 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0810 -1.0733 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8736 1.1145 -1.5692 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5906 -0.5762 -1.5266 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9665 0.5584 -2.1937 C 0 0 0 0... |
rmd17_aspirin | 1,431 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2101 -0.2289 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9799 1.7878 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8946 0.9532 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2955 1.9626 -0.4162 C 0 0 0 0... |
rmd17_aspirin | 1,432 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1797 -0.8569 -0.2848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9607 1.0825 -1.6895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8068 -0.4079 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2306 0.6335 -2.0944 C 0 0 0 0... |
rmd17_aspirin | 1,433 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1967 -0.7259 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5281 0.6481 -1.8575 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7492 -0.2097 -1.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8862 0.4606 -2.1454 C 0 0 0 0... |
rmd17_aspirin | 1,434 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0477 -1.0177 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9168 1.1463 -1.7369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6391 -0.5356 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0042 0.4510 -2.2715 C 0 0 0 0... |
rmd17_aspirin | 1,435 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3112 0.0793 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9980 1.4322 -1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9800 1.1165 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3169 1.8437 -0.9406 C 0 0 0 0... |
rmd17_aspirin | 1,436 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7427 -1.3749 -0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5440 1.4211 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7582 -0.6588 -0.9228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7027 0.7574 -0.8328 C 0 0 0 0... |
rmd17_aspirin | 1,437 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2776 -0.2993 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6707 1.7176 -0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8327 0.9992 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9865 2.0016 -0.2941 C 0 0 0 0... |
rmd17_aspirin | 1,438 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4581 -1.6307 -0.8631 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0205 1.0690 -1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3871 -0.9435 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1632 0.4342 -1.7458 C 0 0 0 0... |
rmd17_aspirin | 1,439 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2080 -0.8008 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4124 0.4255 -1.8156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7861 -0.0628 -1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8314 0.5179 -1.9637 C 0 0 0 0... |
rmd17_aspirin | 1,440 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3949 -0.3589 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6952 1.7194 0.6709 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8189 0.9260 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0728 2.0641 0.5401 C 0 0 0 0... |
rmd17_aspirin | 1,441 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0177 -1.2287 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6912 0.9530 -1.6967 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5060 -0.6517 -1.5996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7712 0.4083 -2.3274 C 0 0 0 0... |
rmd17_aspirin | 1,442 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1009 -0.9920 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6594 0.9663 -1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6555 -0.4696 -1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8263 0.4108 -2.1771 C 0 0 0 0... |
rmd17_aspirin | 1,443 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8860 -1.0397 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0628 1.3342 -1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4074 -0.5158 -1.5084 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0836 0.6902 -2.0231 C 0 0 0 0... |
rmd17_aspirin | 1,444 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2526 -0.3048 -0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0153 1.9339 0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9752 0.8166 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3688 2.0119 0.4760 C 0 0 0 0... |
rmd17_aspirin | 1,445 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0785 -0.9166 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9591 1.0313 -1.6701 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8153 -0.4501 -1.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1225 0.4473 -2.1766 C 0 0 0 0... |
rmd17_aspirin | 1,446 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1891 -0.1896 0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6861 0.5738 -2.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8330 0.1408 -1.1563 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0871 0.5000 -2.2894 C 0 0 0 0... |
rmd17_aspirin | 1,447 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2983 -0.3079 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8401 2.0882 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0200 0.8392 -0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2306 1.9478 -0.4360 C 0 0 0 0... |
rmd17_aspirin | 1,448 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2539 -0.3292 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7430 1.7520 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8060 0.9979 -0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0180 1.9326 0.3607 C 0 0 0 0... |
rmd17_aspirin | 1,449 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1511 -0.4374 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7219 2.0273 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8648 0.8052 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1318 1.9399 0.1191 C 0 0 0 0... |
rmd17_aspirin | 1,450 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0703 -1.2093 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9537 1.0894 -1.2903 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7268 -0.6780 -1.2564 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1995 0.4798 -1.7883 C 0 0 0 0... |
rmd17_aspirin | 1,451 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3504 -0.2546 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7377 2.0309 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8738 0.9374 -0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0578 2.0635 -0.3819 C 0 0 0 0... |
rmd17_aspirin | 1,452 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1295 -0.9706 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 1.1667 -1.6637 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9692 -0.1840 -1.1379 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3877 0.8329 -1.8185 C 0 0 0 0... |
rmd17_aspirin | 1,453 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0975 -1.0358 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8462 1.1908 -1.6915 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5659 -0.6118 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0024 0.4814 -2.1663 C 0 0 0 0... |
rmd17_aspirin | 1,454 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1752 -0.9447 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6493 0.7461 -1.7358 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5838 -0.5780 -1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7332 0.0842 -2.1892 C 0 0 0 0... |
rmd17_aspirin | 1,455 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8201 -1.3448 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2590 1.4851 -0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7533 -0.3986 -0.8683 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5261 0.9867 -0.7656 C 0 0 0 0... |
rmd17_aspirin | 1,456 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1454 -0.9379 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6928 0.9947 -1.5947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7363 -0.2997 -1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9623 0.5555 -2.0886 C 0 0 0 0... |
rmd17_aspirin | 1,457 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2664 -0.2802 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8839 1.8658 -0.7612 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9619 0.9057 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2190 1.9384 -0.2909 C 0 0 0 0... |
rmd17_aspirin | 1,458 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2218 -0.7769 0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5212 0.5121 -1.8583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6890 -0.1981 -1.1581 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8985 0.5554 -2.0184 C 0 0 0 0... |
rmd17_aspirin | 1,459 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2849 -0.2839 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7748 1.9713 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8224 0.8830 0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1687 2.0941 -0.3510 C 0 0 0 0... |
rmd17_aspirin | 1,460 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.3638 -1.5860 -0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8944 1.1210 -1.8501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2504 -0.9630 -1.8145 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9561 0.3173 -2.3112 C 0 0 0 0... |
rmd17_aspirin | 1,461 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2948 -0.4287 0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6440 1.8519 -0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8052 0.8698 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0392 1.9808 -0.0678 C 0 0 0 0... |
rmd17_aspirin | 1,462 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7091 -1.4586 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9110 0.9870 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4592 -0.8916 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1241 0.4687 -1.8891 C 0 0 0 0... |
rmd17_aspirin | 1,463 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2713 -0.3075 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8805 2.0266 0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0329 0.8722 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2975 2.0937 0.1234 C 0 0 0 0... |
rmd17_aspirin | 1,464 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2656 -0.2131 0.1227 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8456 2.0129 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9832 0.9811 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1967 2.1106 -0.3731 C 0 0 0 0... |
rmd17_aspirin | 1,465 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2795 -0.4483 0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7020 1.8730 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8519 0.8456 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0662 2.0065 -0.0631 C 0 0 0 0... |
rmd17_aspirin | 1,466 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9024 -1.0398 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8520 1.3032 -1.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4063 -0.5308 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8338 0.6605 -2.0754 C 0 0 0 0... |
rmd17_aspirin | 1,467 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3399 -0.2692 -0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6862 1.8064 0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9162 0.9330 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0805 1.9775 0.6620 C 0 0 0 0... |
rmd17_aspirin | 1,468 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0427 -1.2062 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2330 1.2554 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9531 -0.4035 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5792 0.8035 -1.2947 C 0 0 0 0... |
rmd17_aspirin | 1,469 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9903 -1.1920 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7725 1.0826 -1.7368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5719 -0.7425 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0129 0.5406 -2.1395 C 0 0 0 0... |
rmd17_aspirin | 1,470 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2509 -0.3813 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7755 1.9457 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7857 0.9249 0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1473 2.0585 0.0904 C 0 0 0 0... |
rmd17_aspirin | 1,471 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3141 -0.9699 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5987 0.8740 -1.6611 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5719 -0.4780 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7698 0.4261 -2.3957 C 0 0 0 0... |
rmd17_aspirin | 1,472 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8237 -1.2881 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5806 1.5072 -0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7374 -0.5237 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5168 0.9017 -0.9899 C 0 0 0 0... |
rmd17_aspirin | 1,473 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6653 -1.4197 -0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7747 1.0136 -1.5489 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3773 -0.6990 -1.8977 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8998 0.5757 -2.1983 C 0 0 0 0... |
rmd17_aspirin | 1,474 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2680 -0.2481 0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9002 1.8189 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9620 0.9825 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2048 2.0570 -0.2934 C 0 0 0 0... |
rmd17_aspirin | 1,475 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8357 -1.2486 -0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5840 1.5100 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9338 -0.4362 -0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8108 0.9539 -0.6630 C 0 0 0 0... |
rmd17_aspirin | 1,476 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8066 -1.2895 -0.5934 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5351 1.5005 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7452 -0.3648 -1.0557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7053 0.9981 -0.6321 C 0 0 0 0... |
rmd17_aspirin | 1,477 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0623 -1.2868 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3445 1.2832 -0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0088 -0.4830 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6292 0.7761 -1.1041 C 0 0 0 0... |
rmd17_aspirin | 1,478 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7761 -1.3778 -0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7292 1.0286 -1.7157 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3984 -0.7629 -1.6475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8610 0.3676 -2.2631 C 0 0 0 0... |
rmd17_aspirin | 1,479 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6245 -1.4533 -0.6048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6749 0.9962 -1.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3331 -0.6703 -1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9367 0.5735 -2.0709 C 0 0 0 0... |
rmd17_aspirin | 1,480 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3693 -0.3660 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8273 1.7529 -0.9218 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8947 0.9081 -0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0968 1.9559 -0.4778 C 0 0 0 0... |
rmd17_aspirin | 1,481 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0215 -1.0039 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1264 1.3341 -1.4331 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7584 -0.3231 -1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2842 0.7878 -1.9096 C 0 0 0 0... |
rmd17_aspirin | 1,482 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0681 -1.0436 -0.4611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7460 0.9857 -1.5504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4905 -0.6174 -1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8791 0.5001 -2.1955 C 0 0 0 0... |
rmd17_aspirin | 1,483 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3780 -0.4897 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7392 1.9095 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 0.8067 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1743 1.9930 -0.2154 C 0 0 0 0... |
rmd17_aspirin | 1,484 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2262 0.1256 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7586 1.3511 -1.3713 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6563 1.3038 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 1.8999 -0.8448 C 0 0 0 0... |
rmd17_aspirin | 1,485 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3181 -0.3989 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8097 1.8180 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9871 0.8363 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2768 1.9589 0.3706 C 0 0 0 0... |
rmd17_aspirin | 1,486 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1379 -0.4538 -0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8567 1.6996 0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7906 0.7710 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1965 1.9336 0.4046 C 0 0 0 0... |
rmd17_aspirin | 1,487 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1212 -1.1742 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7287 0.9504 -1.4205 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4636 -0.6522 -1.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8602 0.4598 -1.9991 C 0 0 0 0... |
rmd17_aspirin | 1,488 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2148 -0.1837 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8011 1.4660 -1.4343 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9269 0.8359 -0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1442 1.6696 -1.1510 C 0 0 0 0... |
rmd17_aspirin | 1,489 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5463 -1.4179 -0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0350 1.0464 -1.8363 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 -1.1459 -1.9724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8884 0.1438 -2.4640 C 0 0 0 0... |
rmd17_aspirin | 1,490 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3210 -0.3448 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4693 1.5345 0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7303 1.0615 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8314 1.9706 0.6272 C 0 0 0 0... |
rmd17_aspirin | 1,491 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6694 -1.2914 -0.7599 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5178 1.3763 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8425 -0.5166 -1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7117 0.8246 -0.7620 C 0 0 0 0... |
rmd17_aspirin | 1,492 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9708 -1.3149 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9365 1.1468 -1.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3030 -0.7397 -1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7998 0.3571 -2.2616 C 0 0 0 0... |
rmd17_aspirin | 1,493 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9855 -1.1502 -0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1600 1.3072 -1.4073 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7511 -0.4548 -1.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2983 0.7651 -2.0021 C 0 0 0 0... |
rmd17_aspirin | 1,494 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1916 -0.3966 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9132 1.8451 0.7557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9242 0.7568 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2787 1.8255 0.4275 C 0 0 0 0... |
rmd17_aspirin | 1,495 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1170 -0.8189 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1636 1.1614 -1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9406 -0.2618 -0.9914 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5216 0.7012 -1.8385 C 0 0 0 0... |
rmd17_aspirin | 1,496 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2711 -0.3896 0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8320 1.9425 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7542 0.8400 0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0701 2.0438 0.2759 C 0 0 0 0... |
rmd17_aspirin | 1,497 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7254 -1.3358 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5063 1.3424 -0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8005 -0.5780 -1.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 0.7685 -1.0303 C 0 0 0 0... |
rmd17_aspirin | 1,498 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0415 -1.1458 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8078 1.0170 -1.5561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6504 -0.5717 -1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9474 0.4933 -2.0453 C 0 0 0 0... |
rmd17_aspirin | 1,499 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1745 -0.3589 0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 1.8320 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9103 0.8561 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1610 1.9742 -0.1934 C 0 0 0 0... |
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