mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 1,700 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9475 -1.0431 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0145 1.2311 -1.3282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4825 -0.7533 -1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9541 0.4649 -2.0695 C 0 0 0 0... |
rmd17_aspirin | 1,701 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3249 -0.3855 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8731 1.9253 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9454 0.7750 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1972 2.0010 -0.1031 C 0 0 0 0... |
rmd17_aspirin | 1,702 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3618 -0.3045 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8087 1.8277 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8809 0.8955 0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1439 1.9782 0.6770 C 0 0 0 0... |
rmd17_aspirin | 1,703 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3099 -0.7632 -0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4708 0.6744 -1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5989 -0.4683 -1.5314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6828 0.2068 -2.3021 C 0 0 0 0... |
rmd17_aspirin | 1,704 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2617 -0.3600 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8346 1.8050 -0.8071 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9221 0.8126 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2022 1.8842 -0.5621 C 0 0 0 0... |
rmd17_aspirin | 1,705 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7117 -1.4451 -0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5190 1.3898 -0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7909 -0.6490 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7018 0.7892 -1.0595 C 0 0 0 0... |
rmd17_aspirin | 1,706 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2449 -0.1301 0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7142 0.4357 -1.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9178 0.1753 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0988 0.4618 -1.9731 C 0 0 0 0... |
rmd17_aspirin | 1,707 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0063 -1.2170 -0.4548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7976 1.0279 -1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3921 -0.7986 -1.7423 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8463 0.3743 -2.2809 C 0 0 0 0... |
rmd17_aspirin | 1,708 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3557 -0.4648 -0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7692 1.8632 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9317 0.7337 -0.1759 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1337 1.8888 -0.1561 C 0 0 0 0... |
rmd17_aspirin | 1,709 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2377 -0.2784 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7399 1.8375 -0.5125 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7014 0.9597 0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0455 2.0516 0.0051 C 0 0 0 0... |
rmd17_aspirin | 1,710 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1049 -1.0779 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0360 1.3689 -1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7084 -0.4974 -1.3546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1473 0.6952 -1.8334 C 0 0 0 0... |
rmd17_aspirin | 1,711 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3510 -0.4285 0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6284 1.7469 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8498 0.8185 0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9855 1.9375 0.1957 C 0 0 0 0... |
rmd17_aspirin | 1,712 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2819 -0.7119 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8692 0.9043 -1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9301 -0.1582 -1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2043 0.6607 -2.1565 C 0 0 0 0... |
rmd17_aspirin | 1,713 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2317 -0.2968 0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9261 1.7009 -1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8076 0.9215 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 1.8508 -0.5782 C 0 0 0 0... |
rmd17_aspirin | 1,714 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2562 -0.3643 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8449 1.8031 -0.8069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9253 0.8069 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 1.8669 -0.5629 C 0 0 0 0... |
rmd17_aspirin | 1,715 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9627 -1.3787 -0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 0.8815 -1.7718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4400 -0.9970 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8812 0.2473 -2.2926 C 0 0 0 0... |
rmd17_aspirin | 1,716 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0305 -1.0505 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6987 1.0588 -1.5775 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5545 -0.5993 -1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9158 0.4766 -2.1296 C 0 0 0 0... |
rmd17_aspirin | 1,717 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9671 -1.2336 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8947 1.2376 -1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3406 -0.6612 -1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 0.5461 -2.2161 C 0 0 0 0... |
rmd17_aspirin | 1,718 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2354 -0.3555 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6257 1.8440 -0.6401 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7457 0.9780 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9495 2.1343 -0.1980 C 0 0 0 0... |
rmd17_aspirin | 1,719 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7441 -1.3099 -0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7305 1.5270 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8047 -0.5556 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7909 0.8477 -0.7754 C 0 0 0 0... |
rmd17_aspirin | 1,720 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1972 -0.8687 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6525 0.7316 -1.8369 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8349 -0.0966 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0835 0.7512 -1.9334 C 0 0 0 0... |
rmd17_aspirin | 1,721 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9397 -1.1363 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0442 1.3703 -1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3900 -0.5713 -1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0707 0.7748 -2.1087 C 0 0 0 0... |
rmd17_aspirin | 1,722 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2720 -0.3504 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6047 1.6388 0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8329 0.8526 0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0381 1.8676 0.6768 C 0 0 0 0... |
rmd17_aspirin | 1,723 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2441 -0.7004 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8267 0.9692 -1.8352 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8461 -0.2605 -1.2668 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1899 0.7114 -2.0386 C 0 0 0 0... |
rmd17_aspirin | 1,724 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2707 -0.4554 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8587 1.9318 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9420 0.8094 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2244 1.9379 0.2149 C 0 0 0 0... |
rmd17_aspirin | 1,725 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2023 -0.3394 0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8711 1.7659 -0.9052 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9636 0.7629 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1824 1.8690 -0.5973 C 0 0 0 0... |
rmd17_aspirin | 1,726 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0956 0.2727 0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9439 1.0272 -1.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4861 1.4186 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9835 1.7244 -1.0245 C 0 0 0 0... |
rmd17_aspirin | 1,727 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0228 -1.3050 -0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0135 1.1225 -1.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8147 -0.4975 -1.1868 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2391 0.6717 -1.6258 C 0 0 0 0... |
rmd17_aspirin | 1,728 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3813 -0.3358 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6706 1.7842 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8937 0.9120 0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0655 1.9487 0.1146 C 0 0 0 0... |
rmd17_aspirin | 1,729 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1824 -0.1985 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7024 1.7909 0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8780 0.9070 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0637 1.8624 0.8455 C 0 0 0 0... |
rmd17_aspirin | 1,730 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6468 -1.4661 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7945 1.0363 -1.8850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2897 -0.9587 -1.8868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9040 0.2935 -2.3429 C 0 0 0 0... |
rmd17_aspirin | 1,731 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1348 -0.9053 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1138 1.3225 -1.5984 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8477 -0.4128 -1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3626 0.7222 -1.9821 C 0 0 0 0... |
rmd17_aspirin | 1,732 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4134 -0.2142 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5812 1.6801 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8606 0.9806 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0011 2.0083 -0.6050 C 0 0 0 0... |
rmd17_aspirin | 1,733 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2603 -0.4252 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8874 1.7226 -0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0015 0.7857 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2878 1.7671 -0.5666 C 0 0 0 0... |
rmd17_aspirin | 1,734 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2054 -0.3032 -0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8385 2.0421 0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9060 0.9821 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2028 2.1709 -0.0845 C 0 0 0 0... |
rmd17_aspirin | 1,735 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3727 -0.3310 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8432 1.6613 -0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9502 0.8710 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2242 1.8988 -0.6103 C 0 0 0 0... |
rmd17_aspirin | 1,736 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9671 -1.3222 -0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7638 0.8279 -1.5243 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5315 -0.6701 -1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9106 0.4353 -2.0900 C 0 0 0 0... |
rmd17_aspirin | 1,737 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2258 -0.7096 -0.1991 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7510 1.0367 -1.6717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8744 0.0207 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1455 0.9666 -1.9783 C 0 0 0 0... |
rmd17_aspirin | 1,738 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1936 -1.1230 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6492 0.8313 -1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6814 -0.6340 -1.4612 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9163 0.3378 -2.1496 C 0 0 0 0... |
rmd17_aspirin | 1,739 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2849 -1.0030 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5665 0.6015 -1.7477 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7268 -0.5014 -1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8601 0.2224 -2.1243 C 0 0 0 0... |
rmd17_aspirin | 1,740 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0926 -1.1900 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6601 0.9613 -1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6039 -0.5578 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8976 0.5451 -2.1046 C 0 0 0 0... |
rmd17_aspirin | 1,741 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2056 0.0856 0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0464 1.5791 -1.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9447 1.0504 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3656 1.8285 -0.9229 C 0 0 0 0... |
rmd17_aspirin | 1,742 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9546 -1.2099 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5287 1.4263 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9584 -0.5910 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7150 0.7580 -1.2400 C 0 0 0 0... |
rmd17_aspirin | 1,743 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2400 0.0910 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9008 1.3882 -1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8171 1.2284 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.8462 -0.9097 C 0 0 0 0... |
rmd17_aspirin | 1,744 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3946 -0.3294 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8269 1.8612 0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9398 0.9087 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2410 1.9124 0.6426 C 0 0 0 0... |
rmd17_aspirin | 1,745 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8842 -1.2947 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2562 1.4308 -0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8286 -0.3998 -0.7741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4525 0.9060 -1.0764 C 0 0 0 0... |
rmd17_aspirin | 1,746 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8738 -1.2354 -0.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6463 1.4634 -0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9805 -0.5328 -0.8915 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8504 0.8414 -1.0379 C 0 0 0 0... |
rmd17_aspirin | 1,747 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1514 -0.9528 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 0.9513 -1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5189 -0.6062 -1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6836 0.2793 -2.3156 C 0 0 0 0... |
rmd17_aspirin | 1,748 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3230 -0.3492 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7939 1.9154 0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0154 0.8190 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2092 2.0253 0.6424 C 0 0 0 0... |
rmd17_aspirin | 1,749 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0022 -1.1889 -0.4077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7088 0.8247 -1.7319 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5146 -0.8278 -1.6431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8321 0.1530 -2.3010 C 0 0 0 0... |
rmd17_aspirin | 1,750 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8668 -1.3116 -0.2234 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2202 1.3541 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8012 -0.5278 -1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3058 0.7462 -1.5414 C 0 0 0 0... |
rmd17_aspirin | 1,751 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1654 -0.1745 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8143 1.6698 -1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8898 0.9256 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2439 1.7917 -0.7673 C 0 0 0 0... |
rmd17_aspirin | 1,752 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2384 -0.5189 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7780 1.8507 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8407 0.7640 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1055 1.9465 -0.0876 C 0 0 0 0... |
rmd17_aspirin | 1,753 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6642 -1.3602 -0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9246 0.9670 -1.7798 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4628 -0.8380 -1.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0716 0.3695 -2.1988 C 0 0 0 0... |
rmd17_aspirin | 1,754 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1713 -0.1700 -0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0416 1.6956 1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9318 0.8815 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3232 1.8317 0.7710 C 0 0 0 0... |
rmd17_aspirin | 1,755 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1831 -0.3162 -0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8208 2.1817 -0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8855 0.8392 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1763 2.0935 -0.3192 C 0 0 0 0... |
rmd17_aspirin | 1,756 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8868 -1.1645 -0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0605 1.2384 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4278 -0.5957 -1.7014 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1436 0.6870 -2.1060 C 0 0 0 0... |
rmd17_aspirin | 1,757 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3579 -0.3446 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8421 1.8873 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9925 0.8310 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1841 1.9504 0.2224 C 0 0 0 0... |
rmd17_aspirin | 1,758 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8654 -1.1312 -0.5057 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4923 0.7529 -1.9334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3426 -0.7115 -1.7521 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7202 0.3319 -2.4021 C 0 0 0 0... |
rmd17_aspirin | 1,759 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1162 -1.0620 -0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7304 0.8350 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7895 -0.3360 -1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0985 0.6077 -1.9391 C 0 0 0 0... |
rmd17_aspirin | 1,760 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0031 -1.2511 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9899 1.1818 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4271 -0.7822 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9440 0.4935 -2.1662 C 0 0 0 0... |
rmd17_aspirin | 1,761 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1742 -0.8296 -0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4062 0.6132 -1.8082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6359 -0.3138 -1.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7369 0.3216 -2.2399 C 0 0 0 0... |
rmd17_aspirin | 1,762 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6376 -1.4881 -0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7730 1.1012 -1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3960 -0.5857 -1.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8750 0.6808 -1.9757 C 0 0 0 0... |
rmd17_aspirin | 1,763 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1097 -1.0479 -0.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0588 1.2310 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8289 -0.3675 -1.2038 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4014 0.8137 -1.7801 C 0 0 0 0... |
rmd17_aspirin | 1,764 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7980 -1.3851 -0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3009 1.3468 -0.7805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5849 -0.5702 -1.3210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4252 0.8360 -1.3888 C 0 0 0 0... |
rmd17_aspirin | 1,765 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9693 -1.2332 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5473 1.0738 -1.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.6097 -1.7079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7465 0.6487 -2.1453 C 0 0 0 0... |
rmd17_aspirin | 1,766 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9857 -1.2520 -0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4489 1.3784 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9553 -0.4097 -0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7346 0.9358 -0.9355 C 0 0 0 0... |
rmd17_aspirin | 1,767 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6603 -1.6086 -0.6853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7654 1.0801 -1.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 -0.8777 -1.7221 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8733 0.4122 -2.2341 C 0 0 0 0... |
rmd17_aspirin | 1,768 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8977 -1.3683 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3913 1.4730 -0.6732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7839 -0.5559 -1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5916 0.8877 -1.1247 C 0 0 0 0... |
rmd17_aspirin | 1,769 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9354 -1.0783 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8528 1.1162 -1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4766 -0.5457 -1.5584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9476 0.5833 -2.1051 C 0 0 0 0... |
rmd17_aspirin | 1,770 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2159 -0.7141 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6869 0.6178 -1.8837 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7737 -0.1816 -1.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0274 0.5223 -2.0109 C 0 0 0 0... |
rmd17_aspirin | 1,771 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2543 -0.3316 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6725 1.8057 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9022 0.9132 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0250 1.9351 0.7238 C 0 0 0 0... |
rmd17_aspirin | 1,772 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9370 -1.0717 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9702 1.1807 -1.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4338 -0.7195 -1.6034 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0518 0.4772 -2.1691 C 0 0 0 0... |
rmd17_aspirin | 1,773 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9536 -1.2370 -0.6244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5839 1.0408 -1.4718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3638 -0.6199 -1.8387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6545 0.5320 -2.1825 C 0 0 0 0... |
rmd17_aspirin | 1,774 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1209 -0.9528 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7310 0.9940 -1.6242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5868 -0.5313 -1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8475 0.4255 -2.2356 C 0 0 0 0... |
rmd17_aspirin | 1,775 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1670 -0.6172 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7656 1.2640 -1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8531 0.1200 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1317 1.0797 -1.8347 C 0 0 0 0... |
rmd17_aspirin | 1,776 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3343 -0.3880 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4978 1.5141 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7372 1.0794 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8531 2.0311 0.6366 C 0 0 0 0... |
rmd17_aspirin | 1,777 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0676 -1.0227 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0094 1.2368 -1.5371 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7147 -0.5235 -1.4585 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1041 0.5911 -2.0820 C 0 0 0 0... |
rmd17_aspirin | 1,778 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8611 -1.2218 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9634 1.2894 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2672 -0.6370 -1.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9527 0.6880 -2.0049 C 0 0 0 0... |
rmd17_aspirin | 1,779 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1032 -1.1135 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9692 0.9482 -1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7861 -0.5998 -1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2415 0.4682 -2.0451 C 0 0 0 0... |
rmd17_aspirin | 1,780 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1349 -0.9773 -0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9769 1.1002 -1.7279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8421 -0.4378 -1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2909 0.5953 -1.9677 C 0 0 0 0... |
rmd17_aspirin | 1,781 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8987 -1.3633 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5368 1.4364 -0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9040 -0.5455 -0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7354 0.8270 -0.9695 C 0 0 0 0... |
rmd17_aspirin | 1,782 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8945 -1.3218 -0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2568 1.3774 -0.7079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8380 -0.4285 -0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4504 0.8406 -1.2143 C 0 0 0 0... |
rmd17_aspirin | 1,783 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2478 -0.3526 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7524 1.8261 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8531 0.8680 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1578 1.9928 -0.3431 C 0 0 0 0... |
rmd17_aspirin | 1,784 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7153 -1.3819 -0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6685 0.8705 -1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5470 -0.5899 -1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0205 0.5501 -2.0068 C 0 0 0 0... |
rmd17_aspirin | 1,785 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3726 -0.4156 0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7632 1.9917 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9909 0.9038 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1843 2.0634 0.1066 C 0 0 0 0... |
rmd17_aspirin | 1,786 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0214 -1.2016 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6116 0.8789 -1.7279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3067 -0.8118 -1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6129 0.1899 -2.4056 C 0 0 0 0... |
rmd17_aspirin | 1,787 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3148 -0.3521 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7968 1.9100 -0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8816 0.8555 0.4455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1537 2.1014 0.1011 C 0 0 0 0... |
rmd17_aspirin | 1,788 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2829 -0.4684 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8755 1.8228 0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9972 0.7079 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2461 1.8794 -0.0269 C 0 0 0 0... |
rmd17_aspirin | 1,789 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8263 -1.4281 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6172 1.4726 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8671 -0.6532 -0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7528 0.7051 -0.9080 C 0 0 0 0... |
rmd17_aspirin | 1,790 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3513 -0.0783 0.4719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6351 1.6944 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8733 0.9671 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 1.9113 -0.6947 C 0 0 0 0... |
rmd17_aspirin | 1,791 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4241 -0.5215 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5365 1.2300 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8389 0.3898 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9177 1.2999 -1.6075 C 0 0 0 0... |
rmd17_aspirin | 1,792 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2537 -0.9601 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7886 0.6985 -1.6945 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7362 -0.6223 -1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0151 0.2283 -2.0262 C 0 0 0 0... |
rmd17_aspirin | 1,793 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9298 -1.1460 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8230 1.2984 -1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3998 -0.5821 -1.6214 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8972 0.7811 -1.9324 C 0 0 0 0... |
rmd17_aspirin | 1,794 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2772 -0.1550 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9472 1.7442 1.1891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8445 1.0718 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2643 1.9272 0.8202 C 0 0 0 0... |
rmd17_aspirin | 1,795 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8688 -1.3049 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2473 1.3492 -0.9239 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7645 -0.5287 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3140 0.7391 -1.5409 C 0 0 0 0... |
rmd17_aspirin | 1,796 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3114 -0.2130 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7278 1.5896 -0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7866 1.0113 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0262 1.9287 -0.6881 C 0 0 0 0... |
rmd17_aspirin | 1,797 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0574 -0.9583 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0605 1.4420 -1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8360 -0.3318 -1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3704 0.8554 -1.8373 C 0 0 0 0... |
rmd17_aspirin | 1,798 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1086 -0.8404 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9386 1.0461 -1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8270 -0.4024 -1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2381 0.5499 -1.9860 C 0 0 0 0... |
rmd17_aspirin | 1,799 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2586 -0.3574 0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9741 1.9957 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9419 0.8086 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2968 1.9736 0.0553 C 0 0 0 0... |
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