mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 1,900 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8458 -1.4611 -0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9806 1.0853 -1.2652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6858 -0.6336 -1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3588 0.7003 -1.5609 C 0 0 0 0... |
rmd17_aspirin | 1,901 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8482 -1.2864 -0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2978 1.3931 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8113 -0.4867 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5903 0.8639 -1.1690 C 0 0 0 0... |
rmd17_aspirin | 1,902 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9827 -1.3637 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6941 1.5048 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0316 -0.4918 -0.8268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8518 0.8698 -0.8660 C 0 0 0 0... |
rmd17_aspirin | 1,903 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3273 -0.4858 -0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8192 1.8263 0.1801 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9803 0.7867 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1734 1.9087 -0.0608 C 0 0 0 0... |
rmd17_aspirin | 1,904 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0933 -1.0292 -0.2208 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7742 1.1175 -1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5672 -0.5308 -1.4127 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9254 0.5403 -2.0642 C 0 0 0 0... |
rmd17_aspirin | 1,905 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9872 -1.3536 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7383 0.8950 -1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6479 -0.5888 -1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0158 0.5708 -1.8243 C 0 0 0 0... |
rmd17_aspirin | 1,906 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0371 -0.9934 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8323 1.0914 -1.5677 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5535 -0.6000 -1.3652 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9773 0.4579 -2.0520 C 0 0 0 0... |
rmd17_aspirin | 1,907 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1733 -1.1991 -0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6325 0.8554 -1.6247 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5629 -0.6601 -1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7163 0.2527 -2.2749 C 0 0 0 0... |
rmd17_aspirin | 1,908 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3128 -0.3948 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8756 2.0487 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0508 0.8168 0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3487 2.0423 0.2091 C 0 0 0 0... |
rmd17_aspirin | 1,909 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2376 -0.2800 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7303 1.8326 -0.5103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7055 0.9547 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0487 2.0493 0.0001 C 0 0 0 0... |
rmd17_aspirin | 1,910 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2825 -0.3160 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9758 2.1022 -0.2101 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.8314 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3370 2.0186 -0.3042 C 0 0 0 0... |
rmd17_aspirin | 1,911 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8910 -1.2996 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5799 1.5854 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9529 -0.4425 -0.7501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7772 0.9402 -0.7963 C 0 0 0 0... |
rmd17_aspirin | 1,912 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3005 -0.2448 0.2278 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5638 1.7762 -0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 0.9406 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 1.9995 -0.6102 C 0 0 0 0... |
rmd17_aspirin | 1,913 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2231 -1.1179 -0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6208 0.6485 -1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7216 -0.6401 -1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9222 0.3187 -2.1441 C 0 0 0 0... |
rmd17_aspirin | 1,914 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1433 -0.2921 0.4127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8837 1.8462 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9024 0.8614 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1574 2.0554 0.0737 C 0 0 0 0... |
rmd17_aspirin | 1,915 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1878 -0.2976 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0222 1.6812 -1.0444 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0731 0.6839 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3877 1.5994 -0.8259 C 0 0 0 0... |
rmd17_aspirin | 1,916 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0405 -1.0665 -0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6791 0.8168 -1.8066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7385 -0.4437 -1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9513 0.3955 -2.2348 C 0 0 0 0... |
rmd17_aspirin | 1,917 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0898 -1.2830 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8993 1.1177 -1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7959 -0.4846 -1.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1167 0.6877 -1.6787 C 0 0 0 0... |
rmd17_aspirin | 1,918 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0899 -1.0488 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0152 1.1977 -1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6760 -0.5229 -1.2995 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1693 0.6976 -1.9057 C 0 0 0 0... |
rmd17_aspirin | 1,919 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0896 -1.0610 -0.2923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6340 0.9632 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6122 -0.3237 -1.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9924 0.7581 -1.8534 C 0 0 0 0... |
rmd17_aspirin | 1,920 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0635 -1.0983 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6623 0.9759 -1.6386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5521 -0.5639 -1.6158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7629 0.4627 -2.2661 C 0 0 0 0... |
rmd17_aspirin | 1,921 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0029 -1.2639 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1288 1.1474 -0.9231 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7897 -0.4707 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2453 0.7646 -1.4617 C 0 0 0 0... |
rmd17_aspirin | 1,922 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5177 -1.5313 -0.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8452 1.0388 -1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5131 -0.7728 -1.6537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1143 0.5836 -2.0358 C 0 0 0 0... |
rmd17_aspirin | 1,923 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3013 -0.8785 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7215 0.7597 -1.7585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8180 -0.4157 -1.2022 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0061 0.4625 -2.0448 C 0 0 0 0... |
rmd17_aspirin | 1,924 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9658 -1.2232 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3671 1.4104 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9487 -0.4376 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5201 0.7475 -1.3904 C 0 0 0 0... |
rmd17_aspirin | 1,925 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4221 -0.2822 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5817 1.8780 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8048 1.0382 0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8981 2.0472 0.2723 C 0 0 0 0... |
rmd17_aspirin | 1,926 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9691 -1.0725 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7567 1.1034 -1.4334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5545 -0.4189 -1.4499 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8987 0.6803 -2.0195 C 0 0 0 0... |
rmd17_aspirin | 1,927 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8970 -1.2098 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5401 1.4616 -0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9600 -0.4512 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7817 0.8123 -1.1435 C 0 0 0 0... |
rmd17_aspirin | 1,928 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4539 -0.4449 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7240 1.7249 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0184 0.8230 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1115 1.9264 -0.0164 C 0 0 0 0... |
rmd17_aspirin | 1,929 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7518 -1.2506 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5110 1.5231 -0.4268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8761 -0.5138 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7052 0.8770 -0.8308 C 0 0 0 0... |
rmd17_aspirin | 1,930 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1320 -0.2724 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9214 1.7767 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8760 0.8805 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3739 1.8560 -0.5958 C 0 0 0 0... |
rmd17_aspirin | 1,931 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8970 -1.3212 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0336 1.2630 -0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7156 -0.4996 -0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2300 0.7317 -1.3561 C 0 0 0 0... |
rmd17_aspirin | 1,932 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0619 -1.1025 -0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7128 0.9548 -1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5390 -0.5227 -1.5814 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8346 0.4357 -2.3621 C 0 0 0 0... |
rmd17_aspirin | 1,933 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1726 0.0613 0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0294 1.5689 -1.4361 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9607 1.0654 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3730 1.8401 -0.9775 C 0 0 0 0... |
rmd17_aspirin | 1,934 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3580 -0.0635 0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8801 1.4850 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9460 1.0073 0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2380 1.7277 -0.9484 C 0 0 0 0... |
rmd17_aspirin | 1,935 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7455 -1.3407 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6964 0.9580 -1.7592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3553 -0.7945 -1.5546 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9044 0.3468 -2.2001 C 0 0 0 0... |
rmd17_aspirin | 1,936 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9417 -1.2917 -0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5097 1.4238 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9282 -0.5248 -0.8984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7969 0.8837 -1.0017 C 0 0 0 0... |
rmd17_aspirin | 1,937 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2120 -0.3605 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8844 1.9608 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9694 0.7871 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2428 1.9367 -0.0135 C 0 0 0 0... |
rmd17_aspirin | 1,938 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2736 -0.2695 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0224 1.9005 0.7321 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0237 0.8300 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3740 1.9242 0.5176 C 0 0 0 0... |
rmd17_aspirin | 1,939 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0167 -1.2410 -0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8215 1.0554 -1.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 -0.6108 -1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9576 0.4745 -2.0473 C 0 0 0 0... |
rmd17_aspirin | 1,940 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0337 -1.0752 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0515 1.3719 -1.4696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7095 -0.5331 -1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1641 0.7850 -1.9609 C 0 0 0 0... |
rmd17_aspirin | 1,941 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6729 -1.4338 -0.8409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9117 0.9735 -1.8793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3361 -1.0728 -2.0328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9595 0.2365 -2.5327 C 0 0 0 0... |
rmd17_aspirin | 1,942 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1678 -0.2413 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9134 1.6936 -1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8554 0.8811 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2026 1.8450 -0.6671 C 0 0 0 0... |
rmd17_aspirin | 1,943 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7164 -1.4643 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 1.1145 -1.5609 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2904 -0.7798 -1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8040 0.5193 -2.2781 C 0 0 0 0... |
rmd17_aspirin | 1,944 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3038 -0.3054 0.1171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8568 2.0929 -0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0349 0.8188 -0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2293 1.9746 -0.4235 C 0 0 0 0... |
rmd17_aspirin | 1,945 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3870 -0.3922 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9025 2.1191 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9568 0.8415 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2429 2.0616 -0.1101 C 0 0 0 0... |
rmd17_aspirin | 1,946 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9361 -1.0266 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9948 1.2727 -1.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4540 -0.7684 -1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0205 0.4730 -2.0716 C 0 0 0 0... |
rmd17_aspirin | 1,947 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2286 -0.3902 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 1.9008 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7987 0.8718 -0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9947 2.0152 -0.2271 C 0 0 0 0... |
rmd17_aspirin | 1,948 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6124 -1.5229 -0.7965 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9558 1.1025 -1.4101 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3446 -0.8468 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0671 0.4756 -1.9798 C 0 0 0 0... |
rmd17_aspirin | 1,949 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2220 -0.5081 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7641 1.1020 -1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8985 0.3498 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1614 1.2194 -1.9177 C 0 0 0 0... |
rmd17_aspirin | 1,950 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7490 -1.4158 -0.7111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3415 1.3221 -0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6884 -0.5755 -1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4302 0.7896 -1.3899 C 0 0 0 0... |
rmd17_aspirin | 1,951 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9405 -1.1062 -0.2553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8521 1.1199 -1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5698 -0.5360 -1.3651 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9751 0.5053 -2.1357 C 0 0 0 0... |
rmd17_aspirin | 1,952 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8747 -1.3107 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3864 1.4014 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7580 -0.4239 -1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5104 0.9098 -0.9625 C 0 0 0 0... |
rmd17_aspirin | 1,953 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3834 -0.3767 0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8293 2.0024 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9432 0.8920 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2443 2.0426 -0.4143 C 0 0 0 0... |
rmd17_aspirin | 1,954 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2477 -0.2128 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7900 1.8938 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8275 0.9561 0.2135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2594 2.0047 -0.5361 C 0 0 0 0... |
rmd17_aspirin | 1,955 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6086 -1.5570 -0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7722 1.1118 -1.3617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3174 -0.7287 -1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8685 0.6191 -2.0096 C 0 0 0 0... |
rmd17_aspirin | 1,956 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2479 0.0938 0.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8287 1.4104 -1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8552 1.2223 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0135 1.9284 -0.7502 C 0 0 0 0... |
rmd17_aspirin | 1,957 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2058 -0.9407 -0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7296 1.0578 -1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6231 -0.4847 -1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8754 0.4485 -2.1286 C 0 0 0 0... |
rmd17_aspirin | 1,958 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8985 -1.3150 -0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6417 1.4368 -0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8696 -0.5230 -0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6822 0.7996 -1.2476 C 0 0 0 0... |
rmd17_aspirin | 1,959 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1335 -0.2595 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7935 1.8748 -0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8105 0.9177 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0743 1.9717 -0.2432 C 0 0 0 0... |
rmd17_aspirin | 1,960 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2177 -0.3628 0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9368 1.7733 -0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0564 0.7414 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2930 1.7698 -0.6013 C 0 0 0 0... |
rmd17_aspirin | 1,961 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2496 -0.4191 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9019 1.8585 0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9385 0.7450 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2032 1.8992 0.6720 C 0 0 0 0... |
rmd17_aspirin | 1,962 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1168 -0.2248 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7091 0.8077 -2.0274 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8020 0.4960 -0.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0663 0.8620 -1.8890 C 0 0 0 0... |
rmd17_aspirin | 1,963 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1376 -0.9909 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7458 1.0095 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6188 -0.6747 -1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8340 0.3092 -2.2427 C 0 0 0 0... |
rmd17_aspirin | 1,964 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8434 -1.2311 -0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0433 1.3647 -1.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6091 -0.4142 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2738 0.9037 -1.8794 C 0 0 0 0... |
rmd17_aspirin | 1,965 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3143 -0.4523 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8499 1.8517 0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9506 0.7898 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1916 1.9155 0.2140 C 0 0 0 0... |
rmd17_aspirin | 1,966 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1896 -0.3521 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 1.8378 0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8104 0.9179 -0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1218 2.0211 0.4515 C 0 0 0 0... |
rmd17_aspirin | 1,967 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9192 -1.2708 -0.3879 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7954 0.9563 -1.4016 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3646 -0.7862 -1.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8360 0.3846 -2.0601 C 0 0 0 0... |
rmd17_aspirin | 1,968 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4560 -1.5131 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8822 0.9406 -1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2941 -0.9841 -1.8536 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0706 0.3986 -2.2170 C 0 0 0 0... |
rmd17_aspirin | 1,969 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9289 -1.1434 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6705 1.1410 -1.5879 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5264 -0.5605 -1.6193 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.5340 -2.1920 C 0 0 0 0... |
rmd17_aspirin | 1,970 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5550 -1.6451 -0.9297 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9766 1.0950 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2347 -0.9566 -1.9217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9729 0.3930 -2.1314 C 0 0 0 0... |
rmd17_aspirin | 1,971 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9927 -1.0949 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9821 1.1017 -1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5111 -0.7612 -1.5836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9614 0.4532 -2.2590 C 0 0 0 0... |
rmd17_aspirin | 1,972 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0514 -1.0889 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6098 1.0445 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4610 -0.5637 -1.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7437 0.5485 -2.1811 C 0 0 0 0... |
rmd17_aspirin | 1,973 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1818 -0.4824 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 1.1590 -1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9199 0.1122 -0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1859 0.8433 -1.8759 C 0 0 0 0... |
rmd17_aspirin | 1,974 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9945 -1.3472 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4559 1.3530 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8726 -0.6082 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5643 0.7298 -1.2653 C 0 0 0 0... |
rmd17_aspirin | 1,975 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2310 -0.3680 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9143 2.0016 -0.3922 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9225 0.8509 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2324 2.0703 0.0921 C 0 0 0 0... |
rmd17_aspirin | 1,976 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6255 -1.4775 -0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8906 1.0281 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2910 -0.9678 -1.8912 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9118 0.3136 -2.2206 C 0 0 0 0... |
rmd17_aspirin | 1,977 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2718 0.0777 0.7658 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9290 1.6694 -0.9446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8698 1.2743 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2229 2.0135 -0.7073 C 0 0 0 0... |
rmd17_aspirin | 1,978 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9632 -1.1488 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6436 1.5203 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0001 -0.5242 -0.8538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8558 0.8563 -1.0697 C 0 0 0 0... |
rmd17_aspirin | 1,979 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3293 -0.3563 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 1.8486 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9602 0.8044 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1698 1.9768 -0.1747 C 0 0 0 0... |
rmd17_aspirin | 1,980 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2868 -0.3763 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5545 1.6405 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7213 0.9523 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8357 2.0325 -0.4104 C 0 0 0 0... |
rmd17_aspirin | 1,981 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0082 -1.3085 -0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6274 1.0089 -1.6698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5798 -0.6032 -1.5812 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 0.4573 -2.1354 C 0 0 0 0... |
rmd17_aspirin | 1,982 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2843 -0.3363 0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8539 2.0779 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8788 0.9795 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1411 2.1508 0.0394 C 0 0 0 0... |
rmd17_aspirin | 1,983 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9595 -1.2947 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5547 0.9151 -1.7138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3395 -0.8198 -1.6569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 0.1784 -2.2667 C 0 0 0 0... |
rmd17_aspirin | 1,984 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6295 -1.5766 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8152 0.9582 -1.8774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3137 -0.9670 -1.9231 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0381 0.3847 -2.2552 C 0 0 0 0... |
rmd17_aspirin | 1,985 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8394 -1.3326 -0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3195 1.4779 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7592 -0.3916 -0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4753 0.9427 -0.8164 C 0 0 0 0... |
rmd17_aspirin | 1,986 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2192 -0.5213 -0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7311 1.4105 -1.5751 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8161 0.1335 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0752 1.1899 -1.9618 C 0 0 0 0... |
rmd17_aspirin | 1,987 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2109 -0.4175 -0.2455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6765 1.8195 0.6037 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6905 0.8245 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0055 1.9410 0.4529 C 0 0 0 0... |
rmd17_aspirin | 1,988 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9119 -1.2750 -0.6052 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8571 1.1975 -1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3453 -0.6114 -1.7282 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9469 0.7765 -1.9022 C 0 0 0 0... |
rmd17_aspirin | 1,989 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8945 -1.3127 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4283 1.4638 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 -0.4207 -0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6178 0.9875 -0.9035 C 0 0 0 0... |
rmd17_aspirin | 1,990 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1117 -0.9687 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8794 1.0764 -1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7086 -0.4510 -1.4271 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0864 0.5527 -2.1928 C 0 0 0 0... |
rmd17_aspirin | 1,991 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7551 -1.1451 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0516 1.4778 -1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6175 -0.4969 -1.4064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2708 0.8296 -1.8417 C 0 0 0 0... |
rmd17_aspirin | 1,992 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7440 -1.2546 -0.4655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5105 1.4758 -0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8513 -0.4630 -0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7211 0.9195 -0.7867 C 0 0 0 0... |
rmd17_aspirin | 1,993 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1894 -0.4450 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8248 1.8939 0.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8292 0.8173 -0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1884 2.0034 0.1385 C 0 0 0 0... |
rmd17_aspirin | 1,994 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0153 -1.0747 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8806 1.0941 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6465 -0.4984 -1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1135 0.5684 -1.8888 C 0 0 0 0... |
rmd17_aspirin | 1,995 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1498 -1.0087 -0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7149 0.8652 -1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7470 -0.5729 -1.4118 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9653 0.3964 -2.1118 C 0 0 0 0... |
rmd17_aspirin | 1,996 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0296 -1.1005 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8047 1.0338 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7138 -0.5493 -1.4092 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0316 0.6110 -2.0477 C 0 0 0 0... |
rmd17_aspirin | 1,997 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9202 -1.3292 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4500 1.4215 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9073 -0.5963 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6695 0.7243 -1.2338 C 0 0 0 0... |
rmd17_aspirin | 1,998 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2665 -0.8683 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6316 0.7107 -1.7699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6936 -0.5727 -1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9355 0.2278 -2.1863 C 0 0 0 0... |
rmd17_aspirin | 1,999 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0682 -1.2106 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3418 1.4223 -1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9611 -0.4696 -0.8626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6178 0.8330 -1.3322 C 0 0 0 0... |
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