mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 1,100 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3205 -0.4422 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5693 1.7935 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8115 0.8805 -0.3622 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9637 2.0578 -0.1840 C 0 0 0 0... |
rmd17_aspirin | 1,101 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0596 -0.5312 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7490 1.0943 -1.9359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8810 0.2917 -0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2253 1.1557 -1.8537 C 0 0 0 0... |
rmd17_aspirin | 1,102 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1372 -0.2205 0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9823 1.6284 -0.9999 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8162 0.9156 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2802 1.8163 -0.6963 C 0 0 0 0... |
rmd17_aspirin | 1,103 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8588 -1.1813 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1373 1.3991 -1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4929 -0.8072 -1.6732 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2185 0.5936 -2.0896 C 0 0 0 0... |
rmd17_aspirin | 1,104 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1819 -0.4495 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5012 0.1577 -2.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7642 -0.1859 -1.2837 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8924 0.0010 -2.3934 C 0 0 0 0... |
rmd17_aspirin | 1,105 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2939 -0.3341 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6589 1.6885 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8307 0.9614 0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9804 1.9809 0.7044 C 0 0 0 0... |
rmd17_aspirin | 1,106 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1632 -0.8421 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0291 1.0832 -1.8624 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8997 -0.3674 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3311 0.5686 -2.0941 C 0 0 0 0... |
rmd17_aspirin | 1,107 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2947 -0.3235 0.3326 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8658 1.9241 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9589 0.8824 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 2.0190 0.0261 C 0 0 0 0... |
rmd17_aspirin | 1,108 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8338 -1.1884 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2357 1.4236 -1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5507 -0.5405 -1.5601 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 0.8451 -1.8133 C 0 0 0 0... |
rmd17_aspirin | 1,109 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2305 -0.5298 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8380 1.8054 0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 0.6730 -0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1640 1.9126 0.0066 C 0 0 0 0... |
rmd17_aspirin | 1,110 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9195 -1.1152 -0.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5710 0.9426 -1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4833 -0.5109 -1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7253 0.5254 -2.2396 C 0 0 0 0... |
rmd17_aspirin | 1,111 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6467 -1.5135 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8637 1.1678 -1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2766 -0.7135 -1.7754 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9851 0.6861 -1.8818 C 0 0 0 0... |
rmd17_aspirin | 1,112 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3172 -0.1892 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6335 1.8961 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8558 0.9574 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 2.0114 -0.5823 C 0 0 0 0... |
rmd17_aspirin | 1,113 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9287 -1.1349 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0825 1.2590 -1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6881 -0.5296 -1.4333 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3179 0.7569 -1.8621 C 0 0 0 0... |
rmd17_aspirin | 1,114 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2772 -0.8853 -0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8904 1.0949 -1.6366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9179 -0.0595 -1.1423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2865 1.0415 -1.8163 C 0 0 0 0... |
rmd17_aspirin | 1,115 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0709 -1.0366 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1610 1.3274 -1.5539 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8034 -0.4173 -1.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3763 0.7276 -1.8709 C 0 0 0 0... |
rmd17_aspirin | 1,116 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2248 -0.3939 -0.2764 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8271 1.8830 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8875 0.8151 -0.3334 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1812 1.9435 0.1045 C 0 0 0 0... |
rmd17_aspirin | 1,117 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3003 -0.4835 -0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6423 1.8252 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9053 0.8163 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0310 1.9499 -0.2309 C 0 0 0 0... |
rmd17_aspirin | 1,118 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0304 -1.2700 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7266 0.9746 -1.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5980 -0.5624 -1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9789 0.4978 -1.9129 C 0 0 0 0... |
rmd17_aspirin | 1,119 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1084 -0.9173 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6936 0.9660 -1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6011 -0.5405 -1.4824 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8230 0.3426 -2.1934 C 0 0 0 0... |
rmd17_aspirin | 1,120 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1371 -0.8058 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0672 1.3390 -1.4573 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8935 -0.2002 -1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3764 0.9078 -1.8462 C 0 0 0 0... |
rmd17_aspirin | 1,121 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3083 -0.4625 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8530 2.0796 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8643 0.7170 0.4164 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2315 1.9378 0.1396 C 0 0 0 0... |
rmd17_aspirin | 1,122 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7989 -1.2263 -0.5431 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0694 1.2556 -1.4863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5287 -0.7217 -1.6378 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1134 0.5666 -1.9853 C 0 0 0 0... |
rmd17_aspirin | 1,123 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2214 -0.1588 -0.4063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7168 1.7696 0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8516 0.9306 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 1.9447 0.7977 C 0 0 0 0... |
rmd17_aspirin | 1,124 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0908 -0.2235 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8613 1.6253 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7114 0.9809 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1973 1.8750 -0.6112 C 0 0 0 0... |
rmd17_aspirin | 1,125 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0286 -1.2834 -0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7510 0.9402 -1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4236 -0.7850 -1.6192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8983 0.4526 -2.0722 C 0 0 0 0... |
rmd17_aspirin | 1,126 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2919 -0.3664 0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6024 1.7444 0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 0.8843 0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9431 1.9949 0.2752 C 0 0 0 0... |
rmd17_aspirin | 1,127 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0266 -1.0235 -0.3064 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7902 1.0306 -1.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6062 -0.5376 -1.4598 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9218 0.4615 -2.1610 C 0 0 0 0... |
rmd17_aspirin | 1,128 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0321 -1.2210 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1816 1.3502 -0.8366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8340 -0.3997 -0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4916 0.8570 -1.2139 C 0 0 0 0... |
rmd17_aspirin | 1,129 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3242 -0.9104 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6340 0.7206 -1.6535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7523 -0.3709 -1.2766 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9279 0.3945 -2.1161 C 0 0 0 0... |
rmd17_aspirin | 1,130 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0904 -1.2357 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8855 1.1385 -1.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7863 -0.4979 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1009 0.6484 -1.6763 C 0 0 0 0... |
rmd17_aspirin | 1,131 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2381 -1.0048 -0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7541 0.9545 -1.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7568 -0.3821 -1.2342 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0384 0.5156 -2.0685 C 0 0 0 0... |
rmd17_aspirin | 1,132 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3201 -0.3207 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7798 0.5303 -2.0359 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9459 -0.0667 -0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1798 0.3431 -2.1017 C 0 0 0 0... |
rmd17_aspirin | 1,133 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7611 -1.3409 -0.4483 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3181 1.3866 -0.5686 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5912 -0.4575 -1.1314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4574 0.9173 -1.1054 C 0 0 0 0... |
rmd17_aspirin | 1,134 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0481 -1.2310 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3148 1.3412 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9079 -0.5160 -0.9768 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3968 0.7230 -1.3824 C 0 0 0 0... |
rmd17_aspirin | 1,135 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3278 -0.5036 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7353 1.1079 -1.7852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8827 0.2417 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1112 0.9248 -1.9880 C 0 0 0 0... |
rmd17_aspirin | 1,136 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0116 -1.1313 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7141 0.9241 -1.5778 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5350 -0.5017 -1.5342 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9315 0.5307 -2.1235 C 0 0 0 0... |
rmd17_aspirin | 1,137 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0945 -1.0493 -0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1363 1.2160 -1.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8822 -0.3882 -1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3757 0.7869 -1.8041 C 0 0 0 0... |
rmd17_aspirin | 1,138 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1518 -0.3230 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0254 1.6756 -1.0595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0030 0.8499 0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4568 1.7077 -0.7686 C 0 0 0 0... |
rmd17_aspirin | 1,139 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2041 -0.8060 -0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5104 0.3257 -2.1033 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5635 -0.6771 -1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8284 0.0357 -2.4595 C 0 0 0 0... |
rmd17_aspirin | 1,140 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3253 -0.2834 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5913 1.7268 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8642 0.9378 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9208 1.9801 -0.6103 C 0 0 0 0... |
rmd17_aspirin | 1,141 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3559 -0.4407 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8222 1.8606 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0830 0.7509 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2091 1.9356 -0.0002 C 0 0 0 0... |
rmd17_aspirin | 1,142 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4424 -0.2747 0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5757 1.8827 -0.1647 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8120 1.0416 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9096 2.0572 0.2741 C 0 0 0 0... |
rmd17_aspirin | 1,143 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4220 -0.3813 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7371 1.8854 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0338 0.9226 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1465 2.0813 0.2366 C 0 0 0 0... |
rmd17_aspirin | 1,144 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2535 -0.4186 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8863 1.7410 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9398 0.6745 -0.1151 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2692 1.8919 -0.5632 C 0 0 0 0... |
rmd17_aspirin | 1,145 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1549 -0.9906 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5242 0.5434 -1.8303 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7380 -0.3270 -1.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9219 0.4652 -2.2480 C 0 0 0 0... |
rmd17_aspirin | 1,146 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2415 -0.9213 -0.1824 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6881 0.9528 -1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6238 -0.5135 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8897 0.4824 -2.1342 C 0 0 0 0... |
rmd17_aspirin | 1,147 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2897 -0.4772 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7518 1.8212 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9017 0.7412 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1178 1.8414 -0.0338 C 0 0 0 0... |
rmd17_aspirin | 1,148 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2753 -0.3721 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7008 1.6978 0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8215 0.8959 0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0442 1.8380 0.6768 C 0 0 0 0... |
rmd17_aspirin | 1,149 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4652 -1.6013 -1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9774 1.1833 -1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2411 -0.7865 -1.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0360 0.5711 -1.7962 C 0 0 0 0... |
rmd17_aspirin | 1,150 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4310 -0.3554 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6550 1.6363 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8769 0.8600 -0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1017 1.8443 -0.7805 C 0 0 0 0... |
rmd17_aspirin | 1,151 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2814 -0.3812 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0535 1.7256 -0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0361 0.7687 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3754 1.8408 -0.4520 C 0 0 0 0... |
rmd17_aspirin | 1,152 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8488 -1.3826 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2291 1.2958 -0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6929 -0.5884 -1.1546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3537 0.7701 -1.3365 C 0 0 0 0... |
rmd17_aspirin | 1,153 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1819 -0.3857 0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9565 1.7662 -1.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8433 0.7446 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3010 1.7773 -0.5820 C 0 0 0 0... |
rmd17_aspirin | 1,154 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3430 -0.4590 0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9191 1.9989 -0.3925 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9208 0.8323 0.0779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2972 2.0850 -0.2748 C 0 0 0 0... |
rmd17_aspirin | 1,155 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0577 -0.6809 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1365 1.1304 -1.7006 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8879 -0.2340 -0.9268 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4406 0.7118 -1.8636 C 0 0 0 0... |
rmd17_aspirin | 1,156 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1734 -0.9863 -0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9420 1.1247 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6699 -0.6473 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0966 0.4955 -2.0361 C 0 0 0 0... |
rmd17_aspirin | 1,157 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2004 -0.6518 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5866 0.3996 -2.1092 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6536 -0.5518 -1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8868 0.0734 -2.3397 C 0 0 0 0... |
rmd17_aspirin | 1,158 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0644 0.2761 0.8374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7932 1.3130 -1.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6496 1.3486 0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9968 1.9016 -0.9589 C 0 0 0 0... |
rmd17_aspirin | 1,159 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1218 -1.1156 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 1.2225 -1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6238 -0.5910 -1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9611 0.5367 -2.2196 C 0 0 0 0... |
rmd17_aspirin | 1,160 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1730 -0.6668 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6893 0.7265 -1.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8100 0.2193 -0.9178 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1103 0.7209 -2.0289 C 0 0 0 0... |
rmd17_aspirin | 1,161 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1454 -0.3014 0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8939 1.6460 -1.0398 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8405 0.8139 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2636 1.7987 -0.6232 C 0 0 0 0... |
rmd17_aspirin | 1,162 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1319 -1.1113 -0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5916 0.9104 -1.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5595 -0.5350 -1.6505 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7454 0.3499 -2.1837 C 0 0 0 0... |
rmd17_aspirin | 1,163 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1386 -1.0542 -0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9434 1.0786 -1.6265 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7258 -0.4310 -1.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1056 0.5297 -2.1108 C 0 0 0 0... |
rmd17_aspirin | 1,164 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7091 -1.3410 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4518 1.4024 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7748 -0.6174 -0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5399 0.7386 -1.0700 C 0 0 0 0... |
rmd17_aspirin | 1,165 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9440 -1.1427 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1201 1.1823 -1.3695 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7968 -0.5321 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3944 0.7068 -1.6827 C 0 0 0 0... |
rmd17_aspirin | 1,166 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1137 -1.0010 -0.2365 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0128 1.1030 -1.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7925 -0.5747 -1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2266 0.5640 -2.0347 C 0 0 0 0... |
rmd17_aspirin | 1,167 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8329 -1.2745 -0.4784 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4851 1.4655 -0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6667 -0.4108 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5430 0.9654 -0.9794 C 0 0 0 0... |
rmd17_aspirin | 1,168 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2773 -0.3553 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8170 2.0875 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8600 0.8233 -0.5919 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1517 1.9647 -0.5165 C 0 0 0 0... |
rmd17_aspirin | 1,169 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8353 -1.2921 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2923 1.3455 -1.0754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7658 -0.6140 -1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4282 0.6739 -1.4921 C 0 0 0 0... |
rmd17_aspirin | 1,170 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5836 -1.4575 -0.7971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6595 1.3258 -0.6506 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5707 -0.7799 -1.4795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6909 0.6417 -1.2986 C 0 0 0 0... |
rmd17_aspirin | 1,171 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3247 -0.2617 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8978 1.7490 1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9785 0.7050 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3228 1.7772 1.0291 C 0 0 0 0... |
rmd17_aspirin | 1,172 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0709 -1.0560 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6764 1.0794 -1.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4336 -0.5260 -1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7578 0.5109 -2.2451 C 0 0 0 0... |
rmd17_aspirin | 1,173 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3667 -0.3918 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8612 1.8845 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0511 0.7843 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2303 1.9216 0.0242 C 0 0 0 0... |
rmd17_aspirin | 1,174 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1917 -0.9067 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8984 1.0582 -1.6939 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7850 -0.3398 -1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1803 0.6431 -2.0753 C 0 0 0 0... |
rmd17_aspirin | 1,175 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2549 -0.8527 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3534 0.6283 -1.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4716 -0.3212 -1.5023 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5673 0.2792 -2.2593 C 0 0 0 0... |
rmd17_aspirin | 1,176 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2897 -0.2531 -0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6815 1.7163 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8275 0.9438 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9946 1.9369 0.5069 C 0 0 0 0... |
rmd17_aspirin | 1,177 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6706 -1.3601 -0.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8084 1.1065 -1.6364 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0389 -1.0559 -1.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7212 0.2190 -2.3185 C 0 0 0 0... |
rmd17_aspirin | 1,178 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2257 -0.3904 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8045 1.9290 0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8156 0.8292 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0821 1.9713 -0.1980 C 0 0 0 0... |
rmd17_aspirin | 1,179 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9500 -1.2401 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4528 1.4164 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9926 -0.5185 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6496 0.7921 -1.0523 C 0 0 0 0... |
rmd17_aspirin | 1,180 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2229 -0.2569 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5321 0.4955 -1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8250 0.3156 -0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9096 0.7301 -1.9730 C 0 0 0 0... |
rmd17_aspirin | 1,181 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3023 -0.2343 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8764 2.0441 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0207 0.9589 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2488 2.1187 -0.0705 C 0 0 0 0... |
rmd17_aspirin | 1,182 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8510 -1.0989 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6587 1.1203 -1.5225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5572 -0.4810 -1.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9861 0.7876 -1.8418 C 0 0 0 0... |
rmd17_aspirin | 1,183 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1611 -1.0070 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5608 0.8595 -1.5043 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5515 -0.4662 -1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7836 0.5333 -2.0768 C 0 0 0 0... |
rmd17_aspirin | 1,184 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0122 -1.0859 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9013 1.1393 -1.6415 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7368 -0.5538 -1.4957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1885 0.6775 -2.0892 C 0 0 0 0... |
rmd17_aspirin | 1,185 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1142 -0.3963 0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 0.5189 -2.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7953 0.3677 -0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1335 0.5785 -2.0685 C 0 0 0 0... |
rmd17_aspirin | 1,186 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1759 -0.6671 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7573 1.1887 -1.7357 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8405 0.0025 -1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0797 1.0510 -1.9217 C 0 0 0 0... |
rmd17_aspirin | 1,187 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3006 -0.3986 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7835 1.8288 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8684 0.9560 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1291 2.0367 0.0879 C 0 0 0 0... |
rmd17_aspirin | 1,188 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0049 -1.0486 -0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8842 1.2527 -1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4024 -0.6246 -1.7224 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9217 0.6113 -2.1732 C 0 0 0 0... |
rmd17_aspirin | 1,189 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7389 -1.2783 -0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9264 1.2078 -1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0829 -0.9117 -1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7992 0.3710 -2.2737 C 0 0 0 0... |
rmd17_aspirin | 1,190 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9788 -1.1826 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6145 1.1196 -1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3806 -0.5236 -1.6354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 0.6300 -2.1208 C 0 0 0 0... |
rmd17_aspirin | 1,191 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9399 -1.3424 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5102 1.4679 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8290 -0.5037 -0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5348 0.9534 -1.1203 C 0 0 0 0... |
rmd17_aspirin | 1,192 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3187 -0.3250 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6888 1.8981 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8655 0.9139 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0349 2.1093 0.1936 C 0 0 0 0... |
rmd17_aspirin | 1,193 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9957 -1.1652 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9944 1.3161 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7620 -0.4381 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3002 0.8418 -1.5139 C 0 0 0 0... |
rmd17_aspirin | 1,194 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9165 -1.1359 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0842 1.3956 -1.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6306 -0.5433 -1.5989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2072 0.7258 -2.1130 C 0 0 0 0... |
rmd17_aspirin | 1,195 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3841 -0.3073 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8253 1.8966 -0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9931 0.9942 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2281 2.0747 -0.3395 C 0 0 0 0... |
rmd17_aspirin | 1,196 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1298 -0.8527 -0.1937 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8417 1.0507 -1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 -0.4322 -1.3786 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9437 0.4691 -2.0977 C 0 0 0 0... |
rmd17_aspirin | 1,197 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3216 -0.3817 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7332 2.0111 -0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8819 0.7033 -0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1535 1.9285 -0.7641 C 0 0 0 0... |
rmd17_aspirin | 1,198 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0798 -0.6006 -0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6625 1.2006 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7059 0.1607 -1.1136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0467 1.0794 -1.8973 C 0 0 0 0... |
rmd17_aspirin | 1,199 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1855 -0.9787 -0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6567 0.8712 -1.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6611 -0.5050 -1.3808 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9362 0.4044 -2.1442 C 0 0 0 0... |
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