mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 2,600 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2700 -0.4742 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4293 1.0728 -1.5861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7656 0.4984 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8372 1.2433 -1.6899 C 0 0 0 0... |
rmd17_aspirin | 2,601 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1496 -0.2747 -0.3221 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9927 1.9143 0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9549 0.8293 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3537 1.9799 0.4086 C 0 0 0 0... |
rmd17_aspirin | 2,602 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9558 -1.2642 -0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2766 1.4483 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8200 -0.4275 -0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4633 0.8822 -1.1086 C 0 0 0 0... |
rmd17_aspirin | 2,603 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4147 -0.3205 0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8430 1.9665 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0105 0.8820 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2582 1.9168 -0.2701 C 0 0 0 0... |
rmd17_aspirin | 2,604 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9746 -1.3934 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 0.8824 -1.7654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4191 -0.9614 -1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9013 0.2207 -2.2930 C 0 0 0 0... |
rmd17_aspirin | 2,605 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9465 -1.3427 -0.4285 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3295 1.4298 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8877 -0.4626 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5909 0.8908 -0.8159 C 0 0 0 0... |
rmd17_aspirin | 2,606 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3581 -0.2883 0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5954 1.9227 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8126 0.8446 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9544 1.9457 -0.5786 C 0 0 0 0... |
rmd17_aspirin | 2,607 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3521 -0.4238 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6706 1.9458 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8667 0.8649 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0798 1.9767 -0.0142 C 0 0 0 0... |
rmd17_aspirin | 2,608 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9861 -1.1593 -0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4021 1.4306 -0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8496 -0.4469 -0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5731 0.9140 -1.3290 C 0 0 0 0... |
rmd17_aspirin | 2,609 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7735 -1.2878 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7303 1.0027 -1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1997 -0.8456 -1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6722 0.3123 -2.2387 C 0 0 0 0... |
rmd17_aspirin | 2,610 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2923 -0.4472 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 1.9969 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9347 0.7386 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0727 1.8631 -0.8241 C 0 0 0 0... |
rmd17_aspirin | 2,611 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2210 -0.8642 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0205 1.0921 -1.7392 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7706 -0.5140 -1.3325 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2617 0.5515 -2.1195 C 0 0 0 0... |
rmd17_aspirin | 2,612 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9325 -1.0293 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9741 1.3685 -1.4867 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4666 -0.5257 -1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0189 0.7417 -2.1475 C 0 0 0 0... |
rmd17_aspirin | 2,613 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0862 -1.1093 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6902 1.0014 -1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5941 -0.4781 -1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9470 0.6914 -2.1374 C 0 0 0 0... |
rmd17_aspirin | 2,614 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1361 -0.4746 0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7186 0.6795 -2.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7948 0.4216 -0.8147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0261 0.9812 -1.8891 C 0 0 0 0... |
rmd17_aspirin | 2,615 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2950 -0.2651 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8663 1.6798 0.9347 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0113 0.8717 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2208 1.8838 0.5596 C 0 0 0 0... |
rmd17_aspirin | 2,616 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0302 -1.2557 -0.1967 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4078 1.4231 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9051 -0.3381 -0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 1.0134 -0.9039 C 0 0 0 0... |
rmd17_aspirin | 2,617 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1242 -0.8336 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4620 0.4718 -1.7879 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5940 -0.3153 -1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7474 0.3399 -2.2735 C 0 0 0 0... |
rmd17_aspirin | 2,618 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2833 -0.1239 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6133 1.4162 -1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7770 1.1237 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9014 1.7960 -0.8370 C 0 0 0 0... |
rmd17_aspirin | 2,619 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8086 -1.4517 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6601 0.9829 -1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5242 -0.6566 -1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9214 0.5322 -2.2151 C 0 0 0 0... |
rmd17_aspirin | 2,620 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1039 -0.4254 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7283 2.0190 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8259 0.8729 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1259 2.0840 0.2348 C 0 0 0 0... |
rmd17_aspirin | 2,621 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3382 0.0626 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9965 1.4450 -1.2939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9351 1.1628 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2706 1.8095 -0.9393 C 0 0 0 0... |
rmd17_aspirin | 2,622 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6599 -1.3650 -0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7052 0.9804 -1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4770 -0.6597 -1.5541 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9805 0.4893 -2.0935 C 0 0 0 0... |
rmd17_aspirin | 2,623 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8256 -1.5631 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0920 1.1291 -1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6018 -0.8249 -1.4204 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3084 0.5044 -1.6676 C 0 0 0 0... |
rmd17_aspirin | 2,624 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2569 -0.3426 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8408 1.9413 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9708 0.7914 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2472 1.9769 0.1147 C 0 0 0 0... |
rmd17_aspirin | 2,625 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2570 -0.2033 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7398 2.0087 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9234 0.9415 0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1302 2.1509 -0.0898 C 0 0 0 0... |
rmd17_aspirin | 2,626 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8431 -1.2731 -0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4219 1.4538 -0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7776 -0.4633 -0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5472 0.9180 -1.0873 C 0 0 0 0... |
rmd17_aspirin | 2,627 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2915 -0.2958 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7064 1.9377 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9128 0.9397 -0.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0642 2.0622 -0.3275 C 0 0 0 0... |
rmd17_aspirin | 2,628 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5907 -1.4226 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8865 0.9591 -1.5976 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3844 -0.8310 -1.6947 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0020 0.4059 -2.1531 C 0 0 0 0... |
rmd17_aspirin | 2,629 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9797 -0.8673 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1007 1.1825 -1.8667 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9223 -0.2133 -0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4711 0.7124 -1.8703 C 0 0 0 0... |
rmd17_aspirin | 2,630 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3170 -0.2677 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8736 1.7755 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 0.8699 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2910 1.9171 0.6496 C 0 0 0 0... |
rmd17_aspirin | 2,631 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3653 -0.3951 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7058 1.8368 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9502 0.8797 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0594 1.8917 0.2893 C 0 0 0 0... |
rmd17_aspirin | 2,632 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3615 -0.6917 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8534 1.3829 -1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9627 0.1650 -1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1827 1.2239 -1.7883 C 0 0 0 0... |
rmd17_aspirin | 2,633 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2482 -0.7543 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7460 1.2653 -1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8843 0.1246 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1353 1.2138 -1.8336 C 0 0 0 0... |
rmd17_aspirin | 2,634 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0107 -1.2628 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8454 1.1292 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7220 -0.4331 -1.4633 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0333 0.6907 -2.0095 C 0 0 0 0... |
rmd17_aspirin | 2,635 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8593 -1.2824 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3345 1.4902 -0.5198 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8528 -0.5654 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5488 0.8754 -0.8837 C 0 0 0 0... |
rmd17_aspirin | 2,636 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8661 -1.1794 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0856 1.3230 -1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5620 -0.5788 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2932 0.7824 -1.8982 C 0 0 0 0... |
rmd17_aspirin | 2,637 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3498 -0.4511 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8107 1.9317 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9078 0.8318 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0912 2.0064 0.4110 C 0 0 0 0... |
rmd17_aspirin | 2,638 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1599 -1.0243 -0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9794 1.2051 -1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7155 -0.5589 -1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1592 0.5542 -2.1456 C 0 0 0 0... |
rmd17_aspirin | 2,639 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0176 -1.3288 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6410 0.9111 -1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4280 -0.8354 -1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7739 0.4240 -2.0416 C 0 0 0 0... |
rmd17_aspirin | 2,640 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3432 -0.0866 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6171 1.7239 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8876 1.0180 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0148 1.8914 -0.7370 C 0 0 0 0... |
rmd17_aspirin | 2,641 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7280 -1.2587 -0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9729 1.2421 -1.6112 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5874 -0.5782 -1.4136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1561 0.6585 -1.9739 C 0 0 0 0... |
rmd17_aspirin | 2,642 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1449 -0.3622 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0531 2.0671 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9863 0.6132 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4578 1.8543 0.4306 C 0 0 0 0... |
rmd17_aspirin | 2,643 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2747 0.0742 0.7411 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0132 1.3869 -1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0016 1.0810 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3221 1.8271 -0.9272 C 0 0 0 0... |
rmd17_aspirin | 2,644 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2255 -0.3509 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8956 2.1334 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9358 0.8338 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2597 1.9915 0.2435 C 0 0 0 0... |
rmd17_aspirin | 2,645 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3747 -0.4312 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6434 1.7264 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9163 0.8307 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0520 1.9579 0.2820 C 0 0 0 0... |
rmd17_aspirin | 2,646 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1158 -1.0194 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0118 1.2508 -1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7436 -0.4469 -1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1791 0.7066 -2.1114 C 0 0 0 0... |
rmd17_aspirin | 2,647 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2112 -0.9138 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9692 0.9997 -1.6978 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8518 -0.4381 -1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 0.5178 -1.9498 C 0 0 0 0... |
rmd17_aspirin | 2,648 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3149 -0.9636 -0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5122 0.5436 -1.9455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7638 -0.2751 -1.5035 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8619 0.3535 -2.3678 C 0 0 0 0... |
rmd17_aspirin | 2,649 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3981 -0.3370 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7056 1.9370 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9197 0.9239 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2134 2.0485 0.0942 C 0 0 0 0... |
rmd17_aspirin | 2,650 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0334 -1.1310 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9089 1.1534 -1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6243 -0.5891 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0496 0.6023 -2.0559 C 0 0 0 0... |
rmd17_aspirin | 2,651 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6363 -1.4221 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9171 1.0176 -1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5126 -0.8047 -1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0990 0.4015 -2.0128 C 0 0 0 0... |
rmd17_aspirin | 2,652 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3555 -0.4123 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8247 1.8293 -0.3643 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9415 0.8428 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2070 1.9419 -0.2365 C 0 0 0 0... |
rmd17_aspirin | 2,653 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2989 -0.2282 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7044 1.7016 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8536 0.9498 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0876 1.9427 0.7687 C 0 0 0 0... |
rmd17_aspirin | 2,654 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2018 -1.0120 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5142 0.5515 -1.7218 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 -0.5389 -1.3135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 0.2278 -2.0877 C 0 0 0 0... |
rmd17_aspirin | 2,655 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8765 -1.3193 -0.3581 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2785 1.2640 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5990 -0.6395 -1.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2677 0.6870 -1.7091 C 0 0 0 0... |
rmd17_aspirin | 2,656 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8496 -1.2412 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3123 1.4653 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8122 -0.4934 -1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6113 0.9049 -1.1062 C 0 0 0 0... |
rmd17_aspirin | 2,657 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2314 -0.8336 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8629 0.9483 -1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8605 -0.3919 -1.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2285 0.5444 -2.0028 C 0 0 0 0... |
rmd17_aspirin | 2,658 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2000 -1.0151 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8720 1.0862 -1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6760 -0.5118 -1.5075 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0037 0.5370 -2.0366 C 0 0 0 0... |
rmd17_aspirin | 2,659 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2010 -0.7682 -0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4536 0.4360 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6189 -0.6227 -1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7204 -0.0274 -2.3998 C 0 0 0 0... |
rmd17_aspirin | 2,660 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2800 -0.3613 0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7013 1.8865 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8136 0.9076 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0670 2.0354 0.2386 C 0 0 0 0... |
rmd17_aspirin | 2,661 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9054 -1.1050 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 1.0497 -1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4104 -0.6051 -1.5079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7957 0.4580 -2.2110 C 0 0 0 0... |
rmd17_aspirin | 2,662 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7336 -1.3599 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2153 1.3114 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6046 -0.5467 -1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4033 0.7830 -1.1665 C 0 0 0 0... |
rmd17_aspirin | 2,663 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2353 -0.3909 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7201 1.8795 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8526 0.8589 0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0645 1.9877 0.1101 C 0 0 0 0... |
rmd17_aspirin | 2,664 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0955 -1.1234 -0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7793 0.9707 -1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4573 -0.7498 -1.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9136 0.3978 -2.2431 C 0 0 0 0... |
rmd17_aspirin | 2,665 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6447 -1.6165 -0.8971 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8978 1.1782 -1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1428 -0.9439 -2.0226 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8525 0.4918 -2.3298 C 0 0 0 0... |
rmd17_aspirin | 2,666 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0924 -0.8943 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7039 0.7843 -1.7537 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5911 -0.6326 -1.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8806 0.3079 -2.1808 C 0 0 0 0... |
rmd17_aspirin | 2,667 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7332 -1.3036 -0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3270 1.3873 -0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6427 -0.6220 -1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4384 0.8168 -1.4848 C 0 0 0 0... |
rmd17_aspirin | 2,668 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8903 -1.3228 -0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3258 1.4436 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8089 -0.4501 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4784 0.9929 -1.1121 C 0 0 0 0... |
rmd17_aspirin | 2,669 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0100 -1.1198 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9171 1.2404 -1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6935 -0.4045 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0655 0.6874 -2.0223 C 0 0 0 0... |
rmd17_aspirin | 2,670 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9007 -1.1728 -0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8211 1.1286 -1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3503 -0.7887 -1.7497 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7282 0.3006 -2.3512 C 0 0 0 0... |
rmd17_aspirin | 2,671 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2604 0.2150 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7980 1.2441 -1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6991 1.3429 0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0749 1.7419 -1.1087 C 0 0 0 0... |
rmd17_aspirin | 2,672 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7099 -1.4314 -0.6877 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7472 0.8644 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4223 -1.0109 -1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9350 0.2110 -2.4829 C 0 0 0 0... |
rmd17_aspirin | 2,673 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3500 -0.3076 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6305 1.9640 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8869 0.8916 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9785 1.9619 -0.5579 C 0 0 0 0... |
rmd17_aspirin | 2,674 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2787 -0.2176 -0.2664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7464 1.6310 1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8865 0.9937 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1240 1.8033 0.8751 C 0 0 0 0... |
rmd17_aspirin | 2,675 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0046 -1.1480 -0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9264 1.0508 -1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5378 -0.6737 -1.5535 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8550 0.3025 -2.2596 C 0 0 0 0... |
rmd17_aspirin | 2,676 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1412 -0.4274 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8903 1.9332 0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9332 0.7665 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2421 1.9897 0.2503 C 0 0 0 0... |
rmd17_aspirin | 2,677 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8555 -1.3542 -0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4553 1.3986 -0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7674 -0.5460 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6252 0.8024 -1.2070 C 0 0 0 0... |
rmd17_aspirin | 2,678 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9471 -1.2414 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5825 0.9319 -1.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3883 -0.7081 -1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7231 0.4355 -2.1125 C 0 0 0 0... |
rmd17_aspirin | 2,679 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9600 -1.1917 -0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8855 1.1690 -1.6284 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5891 -0.6231 -1.5297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0105 0.5025 -2.1831 C 0 0 0 0... |
rmd17_aspirin | 2,680 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2182 -0.3587 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9538 1.9815 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0111 0.7960 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3983 2.0354 -0.4375 C 0 0 0 0... |
rmd17_aspirin | 2,681 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9177 -1.2106 -0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9062 1.0446 -1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5799 -0.6506 -1.6139 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0147 0.4431 -2.1485 C 0 0 0 0... |
rmd17_aspirin | 2,682 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3741 -0.2814 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6913 1.7011 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9082 0.9245 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9977 1.9171 0.6369 C 0 0 0 0... |
rmd17_aspirin | 2,683 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8728 -1.3547 -0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9827 1.2381 -1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3654 -0.7071 -1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1044 0.5520 -1.9500 C 0 0 0 0... |
rmd17_aspirin | 2,684 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6627 -1.4701 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8055 1.2035 -1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2855 -0.6755 -1.7188 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9652 0.6993 -1.8859 C 0 0 0 0... |
rmd17_aspirin | 2,685 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2666 -0.2136 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5311 0.5156 -1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6853 0.3234 -0.8706 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9684 0.5718 -2.0149 C 0 0 0 0... |
rmd17_aspirin | 2,686 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2561 -1.0706 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8041 1.0190 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5874 -0.5808 -1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8832 0.4488 -2.1451 C 0 0 0 0... |
rmd17_aspirin | 2,687 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4547 -1.6482 -0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0259 1.0549 -1.2249 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3537 -0.9620 -1.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1571 0.4329 -1.7681 C 0 0 0 0... |
rmd17_aspirin | 2,688 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2315 -0.3480 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7922 2.0182 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9114 0.8305 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1561 1.9919 -0.3479 C 0 0 0 0... |
rmd17_aspirin | 2,689 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0852 -1.0961 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8893 1.1445 -1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5002 -0.6443 -1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8698 0.4646 -2.0110 C 0 0 0 0... |
rmd17_aspirin | 2,690 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6756 -1.3595 -0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7883 0.8745 -1.8714 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3794 -0.8803 -1.6853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8689 0.1440 -2.4202 C 0 0 0 0... |
rmd17_aspirin | 2,691 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9995 -1.3903 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2220 1.2100 -0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9533 -0.5735 -0.9207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5681 0.7650 -1.0389 C 0 0 0 0... |
rmd17_aspirin | 2,692 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1971 -0.2463 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7971 1.6850 -0.8796 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8116 0.8859 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1296 1.8423 -0.6499 C 0 0 0 0... |
rmd17_aspirin | 2,693 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1526 -0.6397 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8482 0.8034 -1.8746 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8064 -0.1418 -1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1763 0.6426 -2.1375 C 0 0 0 0... |
rmd17_aspirin | 2,694 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9243 -1.2534 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6559 1.5022 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8924 -0.5319 -0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8121 0.9005 -0.8218 C 0 0 0 0... |
rmd17_aspirin | 2,695 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2714 -0.3761 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7491 1.9347 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 0.8934 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1013 2.0212 0.0110 C 0 0 0 0... |
rmd17_aspirin | 2,696 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3088 -0.4095 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7098 1.8538 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7439 0.8510 -0.4104 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0575 1.9790 -0.1975 C 0 0 0 0... |
rmd17_aspirin | 2,697 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2809 -0.3794 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8907 1.9687 0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9356 0.8400 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2688 2.0295 0.0150 C 0 0 0 0... |
rmd17_aspirin | 2,698 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1717 -0.4489 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6755 0.5814 -2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8302 0.1911 -1.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0337 0.7754 -1.9802 C 0 0 0 0... |
rmd17_aspirin | 2,699 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9714 -1.3593 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3054 1.3857 -0.8016 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7523 -0.5862 -1.0122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4812 0.8674 -1.2203 C 0 0 0 0... |
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