mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 2,500 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2563 -0.3377 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8840 2.0624 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 0.8840 0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2812 2.1148 -0.0107 C 0 0 0 0... |
rmd17_aspirin | 2,501 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9283 -1.2221 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7323 1.0605 -1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4388 -0.7343 -1.5405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9320 0.4419 -2.0772 C 0 0 0 0... |
rmd17_aspirin | 2,502 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3631 -0.3609 0.0681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7085 1.8769 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9367 0.8696 0.2741 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1306 1.9764 0.1733 C 0 0 0 0... |
rmd17_aspirin | 2,503 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3955 -0.3948 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8752 1.8977 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0756 0.8330 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2756 2.0143 0.0527 C 0 0 0 0... |
rmd17_aspirin | 2,504 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3779 -0.4031 0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7195 1.8151 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0322 0.7825 -0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1090 1.8681 -0.1227 C 0 0 0 0... |
rmd17_aspirin | 2,505 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3887 -0.4412 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6678 1.8037 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8974 0.8607 -0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9995 1.9301 -0.1685 C 0 0 0 0... |
rmd17_aspirin | 2,506 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2709 -0.3591 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9184 2.0545 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0171 0.7834 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3661 2.0049 0.2742 C 0 0 0 0... |
rmd17_aspirin | 2,507 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3782 -0.0896 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7927 1.5826 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9212 1.0799 0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1417 1.8764 -0.7772 C 0 0 0 0... |
rmd17_aspirin | 2,508 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2282 -0.9574 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6631 0.3480 -2.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7234 -0.7019 -1.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9246 -0.1299 -2.4503 C 0 0 0 0... |
rmd17_aspirin | 2,509 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0936 -0.9561 -0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1303 1.2337 -1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7733 -0.4456 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3154 0.6860 -1.9396 C 0 0 0 0... |
rmd17_aspirin | 2,510 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3462 -0.4417 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6525 1.9364 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8670 0.8685 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0927 1.9854 -0.0109 C 0 0 0 0... |
rmd17_aspirin | 2,511 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3102 -0.4202 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6790 1.8896 0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8818 0.8112 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0678 1.9893 -0.0572 C 0 0 0 0... |
rmd17_aspirin | 2,512 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3092 -0.4634 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8551 2.0727 -0.2501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8650 0.7162 0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2382 1.9446 0.1401 C 0 0 0 0... |
rmd17_aspirin | 2,513 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9132 -1.3793 -0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4117 1.4056 -0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9058 -0.5065 -0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6027 0.8917 -0.9664 C 0 0 0 0... |
rmd17_aspirin | 2,514 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9399 -1.1836 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9159 1.1744 -1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5278 -0.6051 -1.6426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 0.5487 -2.2694 C 0 0 0 0... |
rmd17_aspirin | 2,515 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1188 -0.9721 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9343 1.1644 -1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7061 -0.4139 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1292 0.6342 -1.9842 C 0 0 0 0... |
rmd17_aspirin | 2,516 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1149 -1.0767 -0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8357 1.1353 -1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6661 -0.6090 -1.4828 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 0.5307 -2.0449 C 0 0 0 0... |
rmd17_aspirin | 2,517 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2261 -0.9929 -0.0515 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7929 0.7941 -1.7285 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8384 -0.3837 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1295 0.4967 -2.0339 C 0 0 0 0... |
rmd17_aspirin | 2,518 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2957 -0.3907 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8215 1.6429 -0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8943 0.8280 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1142 1.8973 -0.5490 C 0 0 0 0... |
rmd17_aspirin | 2,519 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9587 -1.3149 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4955 1.4439 -0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9575 -0.5254 -0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7306 0.7949 -1.1238 C 0 0 0 0... |
rmd17_aspirin | 2,520 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3421 -0.1739 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5506 1.7630 -0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8001 0.9313 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8744 1.9310 -0.7509 C 0 0 0 0... |
rmd17_aspirin | 2,521 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8233 -1.3282 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3486 1.5057 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8130 -0.4243 -0.8112 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5845 0.9868 -0.9275 C 0 0 0 0... |
rmd17_aspirin | 2,522 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0631 -1.0434 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9797 1.1553 -1.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7709 -0.3956 -1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1651 0.6950 -2.0820 C 0 0 0 0... |
rmd17_aspirin | 2,523 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9463 -1.3021 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0184 1.1646 -1.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7835 -0.6263 -1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2593 0.5842 -1.6785 C 0 0 0 0... |
rmd17_aspirin | 2,524 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3637 -0.3805 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7185 1.9723 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9932 0.9055 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1344 2.0515 0.2521 C 0 0 0 0... |
rmd17_aspirin | 2,525 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3187 -0.2708 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 1.8871 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9283 0.9342 0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0743 2.0308 0.1737 C 0 0 0 0... |
rmd17_aspirin | 2,526 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2049 -0.3512 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6507 1.8888 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8106 0.8566 0.3737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0357 2.0296 0.2035 C 0 0 0 0... |
rmd17_aspirin | 2,527 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0881 -1.0592 -0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5768 0.8378 -1.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5976 -0.5417 -1.5626 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7144 0.4253 -2.2415 C 0 0 0 0... |
rmd17_aspirin | 2,528 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0274 -1.0568 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9266 1.0217 -1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5780 -0.6583 -1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0757 0.4924 -2.1961 C 0 0 0 0... |
rmd17_aspirin | 2,529 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1948 -0.2847 0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8885 1.7476 -0.8681 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9156 0.8114 0.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2792 1.9084 -0.5033 C 0 0 0 0... |
rmd17_aspirin | 2,530 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3149 -0.5343 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4977 0.9975 -1.6177 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7941 0.4137 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9051 1.0236 -1.9029 C 0 0 0 0... |
rmd17_aspirin | 2,531 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0950 0.3890 0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1814 1.1129 -1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8456 1.1990 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4428 1.4392 -1.2611 C 0 0 0 0... |
rmd17_aspirin | 2,532 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0252 -1.0905 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9106 1.3155 -1.5849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4896 -0.5436 -1.7153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9408 0.6721 -2.2852 C 0 0 0 0... |
rmd17_aspirin | 2,533 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2395 -1.0642 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4802 0.8700 -1.5998 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3442 -0.7157 -1.6998 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5175 0.2166 -2.3302 C 0 0 0 0... |
rmd17_aspirin | 2,534 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1362 -1.0014 -0.3006 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5375 0.7249 -1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6063 -0.6058 -1.5274 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7416 0.2115 -2.3096 C 0 0 0 0... |
rmd17_aspirin | 2,535 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0479 -1.0864 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6451 0.9993 -1.5885 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4608 -0.5930 -1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7406 0.4319 -2.1011 C 0 0 0 0... |
rmd17_aspirin | 2,536 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9897 -1.2230 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0118 0.9784 -1.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7162 -0.7496 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1369 0.3447 -2.0901 C 0 0 0 0... |
rmd17_aspirin | 2,537 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2405 -0.8087 -0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8711 1.2219 -1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9477 0.0078 -1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2131 0.9813 -1.7975 C 0 0 0 0... |
rmd17_aspirin | 2,538 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1770 -0.3387 -0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8935 2.1363 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8876 0.8655 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2419 2.0816 -0.1855 C 0 0 0 0... |
rmd17_aspirin | 2,539 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7536 -1.2534 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5118 1.5460 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9009 -0.5265 -0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7017 0.8738 -0.8325 C 0 0 0 0... |
rmd17_aspirin | 2,540 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9032 -1.2561 -0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2928 1.3456 -0.8701 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8678 -0.4442 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4963 0.7926 -1.3317 C 0 0 0 0... |
rmd17_aspirin | 2,541 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2960 -0.4233 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8095 1.9428 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8931 0.7663 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2128 1.9979 0.1336 C 0 0 0 0... |
rmd17_aspirin | 2,542 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0705 -1.3004 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3052 1.3414 -0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9517 -0.4709 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5182 0.8505 -1.2149 C 0 0 0 0... |
rmd17_aspirin | 2,543 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2630 -0.1233 0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8613 1.5749 -1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8539 1.0501 0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1823 1.8675 -0.7314 C 0 0 0 0... |
rmd17_aspirin | 2,544 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0586 -1.1601 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6137 0.7400 -1.6607 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4265 -0.8030 -1.7135 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6946 0.2359 -2.3060 C 0 0 0 0... |
rmd17_aspirin | 2,545 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2663 -0.7204 -0.2676 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7607 1.3511 -1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9596 0.2464 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1585 1.3407 -1.3942 C 0 0 0 0... |
rmd17_aspirin | 2,546 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9247 -1.0686 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4217 1.4433 -1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9583 -0.3491 -0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6865 0.9735 -1.4225 C 0 0 0 0... |
rmd17_aspirin | 2,547 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1999 -0.8924 -0.1982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7354 0.9685 -1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6066 -0.5264 -1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8974 0.4485 -2.1685 C 0 0 0 0... |
rmd17_aspirin | 2,548 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2249 -0.4004 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8494 1.7825 -0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8422 0.8428 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2163 1.9026 -0.6146 C 0 0 0 0... |
rmd17_aspirin | 2,549 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7859 -1.4002 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2842 1.4324 -0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7602 -0.6176 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 0.7995 -1.3020 C 0 0 0 0... |
rmd17_aspirin | 2,550 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9007 -1.2497 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3298 1.4799 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7936 -0.3613 -1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4532 1.0660 -1.0069 C 0 0 0 0... |
rmd17_aspirin | 2,551 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2569 -0.2882 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8958 1.9737 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9375 0.9260 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2491 2.0176 0.3152 C 0 0 0 0... |
rmd17_aspirin | 2,552 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4211 -1.6972 -0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0411 1.1354 -1.3005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2580 -0.9749 -1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0769 0.3840 -1.9940 C 0 0 0 0... |
rmd17_aspirin | 2,553 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.3964 -1.5973 -1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1411 1.1254 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1856 -0.9828 -1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0838 0.3796 -2.1508 C 0 0 0 0... |
rmd17_aspirin | 2,554 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1552 -0.9535 -0.3265 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6715 1.0847 -1.6279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5766 -0.4691 -1.4844 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8431 0.4937 -2.1114 C 0 0 0 0... |
rmd17_aspirin | 2,555 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2822 -0.2936 -0.0967 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6763 1.7619 0.8109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8817 0.8900 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0411 1.9750 0.7054 C 0 0 0 0... |
rmd17_aspirin | 2,556 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3258 -0.3417 0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9738 1.8793 -0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0586 0.8282 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 1.9241 -0.6486 C 0 0 0 0... |
rmd17_aspirin | 2,557 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1844 -0.0710 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7618 1.2906 -1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9308 0.7931 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1865 1.5375 -1.3507 C 0 0 0 0... |
rmd17_aspirin | 2,558 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9616 -1.0872 -0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 1.2216 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6775 -0.5494 -1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2363 0.5433 -2.1236 C 0 0 0 0... |
rmd17_aspirin | 2,559 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1519 -1.0586 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 0.9965 -1.5027 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 -0.4419 -1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9329 0.6288 -1.9125 C 0 0 0 0... |
rmd17_aspirin | 2,560 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1041 -0.2146 0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8321 1.8973 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7791 0.9013 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1507 2.0376 -0.3506 C 0 0 0 0... |
rmd17_aspirin | 2,561 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1079 -1.0917 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7365 0.9462 -1.6581 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4546 -0.7904 -1.6988 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8456 0.2753 -2.3665 C 0 0 0 0... |
rmd17_aspirin | 2,562 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1589 -0.3947 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0509 1.8930 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9600 0.7505 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4680 1.8426 -0.6292 C 0 0 0 0... |
rmd17_aspirin | 2,563 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1330 -0.2940 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0012 1.9189 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9606 0.8288 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3383 1.9930 0.4134 C 0 0 0 0... |
rmd17_aspirin | 2,564 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9224 -1.0718 -0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8156 1.1341 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5299 -0.6625 -1.5824 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8415 0.4087 -2.3247 C 0 0 0 0... |
rmd17_aspirin | 2,565 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3576 -0.3376 0.0422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7329 1.8531 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9117 0.8883 -0.3298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0775 2.0273 -0.5510 C 0 0 0 0... |
rmd17_aspirin | 2,566 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3116 -0.2881 -0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8270 1.7627 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9255 0.8341 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2316 1.9372 0.6384 C 0 0 0 0... |
rmd17_aspirin | 2,567 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6104 -1.4217 -0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8633 0.9963 -1.8279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4044 -0.8454 -1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0685 0.4222 -2.2090 C 0 0 0 0... |
rmd17_aspirin | 2,568 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1162 -1.1487 -0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7732 0.9351 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6084 -0.6548 -1.5118 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8797 0.3150 -2.2116 C 0 0 0 0... |
rmd17_aspirin | 2,569 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8182 -1.3434 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6773 1.4473 -0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8331 -0.5873 -0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6630 0.8295 -1.2313 C 0 0 0 0... |
rmd17_aspirin | 2,570 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3258 -0.3755 0.0929 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8259 1.8508 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8996 0.8424 0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1954 2.0344 -0.3184 C 0 0 0 0... |
rmd17_aspirin | 2,571 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3470 -0.4341 -0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7688 1.7721 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8204 0.8364 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0807 1.8852 -0.1350 C 0 0 0 0... |
rmd17_aspirin | 2,572 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8393 -1.0213 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0818 1.3667 -1.4195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4923 -0.6100 -1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1813 0.7273 -2.0315 C 0 0 0 0... |
rmd17_aspirin | 2,573 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4596 -0.3247 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5992 1.8177 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9666 0.8845 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9640 1.9746 0.4361 C 0 0 0 0... |
rmd17_aspirin | 2,574 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8939 -1.1343 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9330 1.3039 -1.4182 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5094 -0.4851 -1.6444 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9954 0.7061 -2.0752 C 0 0 0 0... |
rmd17_aspirin | 2,575 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3030 -0.4302 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 1.7962 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8555 0.7993 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0076 1.8917 -0.2343 C 0 0 0 0... |
rmd17_aspirin | 2,576 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3372 -0.3574 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6237 1.8269 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7765 0.9616 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9878 1.9995 0.3679 C 0 0 0 0... |
rmd17_aspirin | 2,577 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2159 -1.0081 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9047 1.0851 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6548 -0.6468 -1.4357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9931 0.5240 -2.0143 C 0 0 0 0... |
rmd17_aspirin | 2,578 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1189 -0.2936 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7178 2.0855 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7535 0.8830 -0.3579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0362 2.0836 -0.5414 C 0 0 0 0... |
rmd17_aspirin | 2,579 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2898 -0.4793 -0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7492 1.8220 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8996 0.7425 -0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1145 1.8399 -0.0325 C 0 0 0 0... |
rmd17_aspirin | 2,580 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3655 -0.1284 0.5404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6693 1.5317 -0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9310 0.9923 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9470 1.8781 -0.5990 C 0 0 0 0... |
rmd17_aspirin | 2,581 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2891 -0.3189 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8651 1.8809 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9070 0.9888 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2046 1.9953 -0.4747 C 0 0 0 0... |
rmd17_aspirin | 2,582 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2855 -0.8680 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4869 0.5838 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6217 -0.6120 -1.4427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7751 0.2034 -2.2729 C 0 0 0 0... |
rmd17_aspirin | 2,583 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8308 -1.2223 -0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8625 1.2131 -1.4994 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2692 -0.7242 -1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9463 0.5363 -2.1648 C 0 0 0 0... |
rmd17_aspirin | 2,584 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8759 -1.2248 -0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7637 1.4257 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9525 -0.4432 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9459 0.9650 -0.6672 C 0 0 0 0... |
rmd17_aspirin | 2,585 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1464 -1.1826 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9079 1.2092 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 -0.5522 -1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9188 0.5470 -2.2185 C 0 0 0 0... |
rmd17_aspirin | 2,586 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2438 -0.3651 -0.0888 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6835 1.8318 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8860 0.7612 0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0896 1.8529 0.3803 C 0 0 0 0... |
rmd17_aspirin | 2,587 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5792 -1.4055 -0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8899 0.9337 -1.5948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4024 -0.8296 -1.6809 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9979 0.3869 -2.1726 C 0 0 0 0... |
rmd17_aspirin | 2,588 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3523 -0.4758 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6208 1.7713 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8496 0.7850 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9812 1.9158 -0.2866 C 0 0 0 0... |
rmd17_aspirin | 2,589 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9202 0.4109 1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8404 1.1983 -1.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5410 1.3780 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0271 1.6701 -0.9752 C 0 0 0 0... |
rmd17_aspirin | 2,590 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2892 -0.5448 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9536 1.9563 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0227 0.6376 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2873 1.9874 0.0889 C 0 0 0 0... |
rmd17_aspirin | 2,591 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5678 -1.4075 -0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6713 1.0808 -1.7431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3459 -0.6980 -1.8027 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8471 0.4899 -2.2841 C 0 0 0 0... |
rmd17_aspirin | 2,592 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2283 -0.3322 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8260 2.0930 -0.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8371 0.8135 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2094 2.0548 -0.4652 C 0 0 0 0... |
rmd17_aspirin | 2,593 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3381 -0.3464 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8880 1.7693 -0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9830 0.7573 -0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2920 1.8370 -0.6366 C 0 0 0 0... |
rmd17_aspirin | 2,594 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1371 -0.7648 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6054 0.1788 -2.2334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6990 -0.3728 -1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9712 0.0080 -2.4177 C 0 0 0 0... |
rmd17_aspirin | 2,595 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5843 -1.6756 -0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9862 0.9679 -1.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4144 -0.8970 -1.7162 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1695 0.4715 -1.9084 C 0 0 0 0... |
rmd17_aspirin | 2,596 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7792 -1.5581 -0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8173 0.9303 -1.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3525 -0.9035 -1.9085 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8811 0.3137 -2.4241 C 0 0 0 0... |
rmd17_aspirin | 2,597 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1181 -1.4040 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1815 1.2528 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8408 -0.5267 -1.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4252 0.7359 -1.3663 C 0 0 0 0... |
rmd17_aspirin | 2,598 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2200 -0.2856 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9491 1.9975 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8906 0.9276 0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2812 2.0823 -0.0904 C 0 0 0 0... |
rmd17_aspirin | 2,599 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2912 -0.2675 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7870 2.0273 -0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9435 1.0004 -0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2148 2.1505 0.0792 C 0 0 0 0... |
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