mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 3,200 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9375 -1.2235 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0159 1.2222 -1.5136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4068 -0.7944 -1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0758 0.4626 -2.0842 C 0 0 0 0... |
rmd17_aspirin | 3,201 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1785 -0.9453 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7371 0.9950 -1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5831 -0.6573 -1.6668 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8404 0.3862 -2.3167 C 0 0 0 0... |
rmd17_aspirin | 3,202 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1573 -0.2459 0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6757 1.9352 -0.7635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5813 1.0444 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9117 2.0804 -0.1356 C 0 0 0 0... |
rmd17_aspirin | 3,203 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9050 -1.1356 -0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9909 1.3555 -1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4273 -0.5731 -1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0057 0.6230 -2.1559 C 0 0 0 0... |
rmd17_aspirin | 3,204 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2878 -0.4632 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7441 1.9974 0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8585 0.8878 0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1503 2.0740 0.2091 C 0 0 0 0... |
rmd17_aspirin | 3,205 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0688 -1.1236 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1139 1.3423 -1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6223 -0.6186 -1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1407 0.6023 -1.9550 C 0 0 0 0... |
rmd17_aspirin | 3,206 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9039 -1.3329 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2791 1.2718 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7796 -0.4912 -0.9281 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5481 0.8506 -1.1573 C 0 0 0 0... |
rmd17_aspirin | 3,207 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2473 -0.9857 -0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7104 0.9093 -1.6702 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7228 -0.3945 -1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9748 0.5672 -2.0799 C 0 0 0 0... |
rmd17_aspirin | 3,208 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9324 -1.1382 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9830 1.2292 -1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5823 -0.7213 -1.5499 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0737 0.4891 -2.1796 C 0 0 0 0... |
rmd17_aspirin | 3,209 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2886 -0.2341 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7236 1.6677 1.0225 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8076 0.9267 0.1136 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0870 1.8076 1.0014 C 0 0 0 0... |
rmd17_aspirin | 3,210 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6523 -1.3868 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8554 1.1185 -1.7495 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3872 -0.7670 -1.5719 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0544 0.5249 -2.0846 C 0 0 0 0... |
rmd17_aspirin | 3,211 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9012 -0.9522 -0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0662 1.1917 -1.5696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6798 -0.4268 -1.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2448 0.6986 -2.0593 C 0 0 0 0... |
rmd17_aspirin | 3,212 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7454 -1.1848 -0.6975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6289 1.5605 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9027 -0.4197 -0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8035 0.9993 -0.7305 C 0 0 0 0... |
rmd17_aspirin | 3,213 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1687 -0.6813 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7912 1.0417 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8275 0.1159 -1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1469 1.0209 -1.8252 C 0 0 0 0... |
rmd17_aspirin | 3,214 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1452 -0.3465 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8137 2.0364 -0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9380 0.8983 0.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2211 2.0853 -0.0465 C 0 0 0 0... |
rmd17_aspirin | 3,215 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2099 -0.4597 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9285 1.9493 0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8723 0.6870 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1920 1.9572 -0.0420 C 0 0 0 0... |
rmd17_aspirin | 3,216 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8737 -1.1307 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9786 1.3480 -1.3784 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4446 -0.5458 -1.6144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9841 0.6331 -2.0938 C 0 0 0 0... |
rmd17_aspirin | 3,217 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3181 -0.4371 0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9456 2.0830 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0462 0.8083 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4039 2.1369 0.1713 C 0 0 0 0... |
rmd17_aspirin | 3,218 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2888 -0.4053 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 1.9731 0.3872 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8458 0.8319 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1661 2.0122 -0.1288 C 0 0 0 0... |
rmd17_aspirin | 3,219 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2339 -0.3356 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9078 2.0760 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0198 0.7129 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3523 1.9906 -0.3259 C 0 0 0 0... |
rmd17_aspirin | 3,220 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3476 -0.4768 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7200 1.7940 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8866 0.8159 0.3968 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0647 1.9388 0.1000 C 0 0 0 0... |
rmd17_aspirin | 3,221 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0472 -1.0335 -0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8216 1.0582 -1.7419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5505 -0.6519 -1.5569 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9441 0.4399 -2.2758 C 0 0 0 0... |
rmd17_aspirin | 3,222 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0095 -1.3726 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1549 1.2407 -1.1354 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9303 -0.5343 -0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4415 0.6907 -1.3760 C 0 0 0 0... |
rmd17_aspirin | 3,223 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3187 -0.3594 -0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7733 1.9495 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8899 0.9169 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1478 2.0510 0.0764 C 0 0 0 0... |
rmd17_aspirin | 3,224 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0613 -1.0682 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6446 1.0342 -1.4378 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2917 -0.6434 -1.6749 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6278 0.4552 -2.2556 C 0 0 0 0... |
rmd17_aspirin | 3,225 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1479 -0.9743 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7984 1.1730 -1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6521 -0.4217 -1.4586 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0492 0.6675 -2.0068 C 0 0 0 0... |
rmd17_aspirin | 3,226 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8898 -1.3966 -0.4274 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7836 0.9915 -1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4369 -0.7237 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9291 0.4583 -2.0266 C 0 0 0 0... |
rmd17_aspirin | 3,227 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1492 -1.0928 -0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7528 1.0373 -1.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5598 -0.5919 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9924 0.6016 -2.0088 C 0 0 0 0... |
rmd17_aspirin | 3,228 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3425 -0.4063 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8242 1.3026 -1.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0069 0.6123 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1876 1.3960 -1.3525 C 0 0 0 0... |
rmd17_aspirin | 3,229 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3271 -0.3424 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5751 1.8017 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8112 0.9462 -0.3057 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8546 1.9793 -0.5135 C 0 0 0 0... |
rmd17_aspirin | 3,230 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3043 -0.1943 0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7325 1.3221 -1.3273 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9387 0.8153 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1438 1.5178 -1.2662 C 0 0 0 0... |
rmd17_aspirin | 3,231 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2851 -0.3178 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7795 1.9584 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8276 0.9620 0.3129 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1270 2.0918 0.0725 C 0 0 0 0... |
rmd17_aspirin | 3,232 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9106 -1.3437 -0.3562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4886 1.5048 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8332 -0.4771 -0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5574 0.9523 -1.1176 C 0 0 0 0... |
rmd17_aspirin | 3,233 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3863 -0.4220 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7929 1.8804 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9671 0.7237 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2125 1.9358 -0.2903 C 0 0 0 0... |
rmd17_aspirin | 3,234 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0505 -1.0177 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0453 1.3151 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7513 -0.4602 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3698 0.8076 -1.7197 C 0 0 0 0... |
rmd17_aspirin | 3,235 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0204 -1.2817 0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5668 1.3627 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9582 -0.5712 -0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7102 0.7256 -1.2423 C 0 0 0 0... |
rmd17_aspirin | 3,236 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2189 -0.4195 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7671 1.8122 -0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7103 0.9298 0.6195 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0918 2.0254 -0.0694 C 0 0 0 0... |
rmd17_aspirin | 3,237 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0182 0.5092 0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1658 1.2181 -1.6662 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9163 1.2193 0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5198 1.3735 -1.2326 C 0 0 0 0... |
rmd17_aspirin | 3,238 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1814 -1.0686 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8221 1.0002 -1.4896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6654 -0.5921 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9528 0.4390 -2.1285 C 0 0 0 0... |
rmd17_aspirin | 3,239 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9766 -1.1575 -0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8247 1.1331 -1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3674 -0.6871 -1.6942 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8682 0.4980 -2.2068 C 0 0 0 0... |
rmd17_aspirin | 3,240 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5970 -1.4078 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0042 1.1115 -1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1385 -0.9361 -2.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9952 0.3833 -2.3227 C 0 0 0 0... |
rmd17_aspirin | 3,241 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2546 -0.3062 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7114 1.8454 0.8485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7642 0.9605 0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0713 2.0193 0.5474 C 0 0 0 0... |
rmd17_aspirin | 3,242 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3238 -0.4645 -0.2045 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7189 1.8790 -0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9008 0.8054 -0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0861 1.9728 -0.3525 C 0 0 0 0... |
rmd17_aspirin | 3,243 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7736 -1.3270 -0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5231 1.4306 -0.5671 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6624 -0.5672 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5164 0.8044 -1.3180 C 0 0 0 0... |
rmd17_aspirin | 3,244 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1499 -0.3414 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8197 2.0250 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9275 0.8928 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2087 2.0713 -0.0379 C 0 0 0 0... |
rmd17_aspirin | 3,245 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2305 -0.3502 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7661 1.9616 -0.3132 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8716 0.9349 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1120 1.9613 0.0588 C 0 0 0 0... |
rmd17_aspirin | 3,246 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3542 -0.4084 -0.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8363 1.9882 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9200 0.8163 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0868 1.9727 -0.6114 C 0 0 0 0... |
rmd17_aspirin | 3,247 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1439 -1.0144 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5652 0.5752 -1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7089 -0.5670 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9368 0.3257 -2.0712 C 0 0 0 0... |
rmd17_aspirin | 3,248 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0103 -1.1889 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7156 0.8183 -1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5204 -0.8305 -1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8327 0.1407 -2.3046 C 0 0 0 0... |
rmd17_aspirin | 3,249 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8454 -1.2315 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5271 1.4959 -0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9365 -0.4631 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7601 0.9369 -1.0382 C 0 0 0 0... |
rmd17_aspirin | 3,250 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3522 -0.4143 -0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 1.9805 -0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9965 0.8072 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2216 1.9777 -0.4527 C 0 0 0 0... |
rmd17_aspirin | 3,251 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7051 -1.4690 -0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9097 1.0338 -1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3926 -0.8252 -1.5779 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0517 0.4381 -1.9584 C 0 0 0 0... |
rmd17_aspirin | 3,252 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9630 -1.2820 -0.3496 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9992 0.9042 -1.8894 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6930 -0.7245 -1.4311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2710 0.4126 -2.1196 C 0 0 0 0... |
rmd17_aspirin | 3,253 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1388 -0.9203 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1457 1.1922 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9659 -0.3297 -1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5171 0.7483 -1.8248 C 0 0 0 0... |
rmd17_aspirin | 3,254 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1688 -1.0958 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9149 1.0740 -1.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6948 -0.6251 -1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9989 0.4381 -2.0298 C 0 0 0 0... |
rmd17_aspirin | 3,255 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3082 -0.2381 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8812 2.0754 -0.0116 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9220 0.9332 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2076 2.1273 -0.4149 C 0 0 0 0... |
rmd17_aspirin | 3,256 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1961 0.1863 0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7339 1.2435 -1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6879 1.3683 0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0483 1.7540 -0.9505 C 0 0 0 0... |
rmd17_aspirin | 3,257 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9130 -1.3510 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5241 1.3923 -0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7898 -0.5181 -1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5668 0.8345 -1.0275 C 0 0 0 0... |
rmd17_aspirin | 3,258 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1579 -1.0607 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6476 0.7525 -1.6957 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6035 -0.5436 -1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8685 0.2009 -2.1198 C 0 0 0 0... |
rmd17_aspirin | 3,259 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4199 -0.6566 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7428 0.9744 -1.7006 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0283 0.1903 -1.0673 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1177 0.9234 -1.8586 C 0 0 0 0... |
rmd17_aspirin | 3,260 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0328 -1.1435 -0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8008 1.2364 -1.3898 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4283 -0.5909 -1.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 0.5768 -2.0557 C 0 0 0 0... |
rmd17_aspirin | 3,261 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1448 -0.4328 -0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8741 1.8599 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8810 0.7394 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2173 1.9109 0.4088 C 0 0 0 0... |
rmd17_aspirin | 3,262 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8101 -1.4736 -0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8191 0.9234 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4552 -0.8293 -1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8746 0.3861 -2.0597 C 0 0 0 0... |
rmd17_aspirin | 3,263 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9590 -1.0925 -0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8581 1.1148 -1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5856 -0.6176 -1.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8627 0.4156 -2.2154 C 0 0 0 0... |
rmd17_aspirin | 3,264 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5897 -1.5513 -0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9851 1.0766 -1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5052 -0.9275 -1.6975 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1924 0.4023 -2.0284 C 0 0 0 0... |
rmd17_aspirin | 3,265 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3054 -0.2253 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9185 1.8621 0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9934 0.8898 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2899 1.9103 0.7735 C 0 0 0 0... |
rmd17_aspirin | 3,266 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0567 -1.0603 -0.4193 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9386 1.1206 -1.7261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5995 -0.5637 -1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0424 0.4865 -2.2453 C 0 0 0 0... |
rmd17_aspirin | 3,267 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1408 -0.8409 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4929 0.6536 -1.8469 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6265 -0.3799 -1.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.3757 -2.2765 C 0 0 0 0... |
rmd17_aspirin | 3,268 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0008 -1.1644 -0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9032 1.2920 -1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7379 -0.3411 -1.2849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1616 0.7993 -1.8284 C 0 0 0 0... |
rmd17_aspirin | 3,269 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7942 -1.2618 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7301 1.1773 -1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5415 -0.6382 -1.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9111 0.5218 -2.0575 C 0 0 0 0... |
rmd17_aspirin | 3,270 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1983 -0.3278 -0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8208 2.0644 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8965 0.8651 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2091 2.0559 -0.0291 C 0 0 0 0... |
rmd17_aspirin | 3,271 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9343 -1.3272 -0.5262 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9003 1.0012 -1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5639 -0.7226 -1.6019 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1632 0.5360 -2.0661 C 0 0 0 0... |
rmd17_aspirin | 3,272 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2334 -0.2066 -0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8721 1.8073 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9485 0.8909 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2534 1.8599 0.9437 C 0 0 0 0... |
rmd17_aspirin | 3,273 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2541 -0.4544 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9001 1.9413 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8260 0.8394 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3127 2.0294 -0.0642 C 0 0 0 0... |
rmd17_aspirin | 3,274 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0294 -1.3138 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4394 1.3568 -0.8403 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8958 -0.5784 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6989 0.8362 -1.1953 C 0 0 0 0... |
rmd17_aspirin | 3,275 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6158 -1.3866 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0949 1.3762 -1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3350 -0.8841 -1.7301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1517 0.4713 -1.9775 C 0 0 0 0... |
rmd17_aspirin | 3,276 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3333 -0.3456 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9742 1.8713 -0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0578 0.8319 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3910 1.9209 -0.6471 C 0 0 0 0... |
rmd17_aspirin | 3,277 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2234 -1.0209 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7296 0.8160 -1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8237 -0.5120 -1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9984 0.4498 -2.2193 C 0 0 0 0... |
rmd17_aspirin | 3,278 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2635 -0.4392 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9345 1.9518 0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0254 0.6904 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3524 1.9629 0.2774 C 0 0 0 0... |
rmd17_aspirin | 3,279 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1816 -0.3443 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9479 2.0570 0.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0265 0.8313 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3447 1.9873 0.2893 C 0 0 0 0... |
rmd17_aspirin | 3,280 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2348 -0.3941 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6750 1.8016 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8805 0.8719 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0208 1.9636 0.4139 C 0 0 0 0... |
rmd17_aspirin | 3,281 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0451 -1.1461 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7949 1.2268 -1.4005 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 -0.5882 -1.5047 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8162 0.5866 -2.0441 C 0 0 0 0... |
rmd17_aspirin | 3,282 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7287 -1.3669 -0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7467 0.9609 -1.9045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3694 -0.8294 -1.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8984 0.3199 -2.3039 C 0 0 0 0... |
rmd17_aspirin | 3,283 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9807 -1.2989 -0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1793 1.2970 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8437 -0.5550 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4776 0.7362 -1.3239 C 0 0 0 0... |
rmd17_aspirin | 3,284 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0687 0.2265 0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8409 1.2398 -1.4365 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7940 1.1002 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1143 1.7040 -1.0579 C 0 0 0 0... |
rmd17_aspirin | 3,285 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3683 -0.4623 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 1.6992 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 0.8532 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8858 1.9457 0.4391 C 0 0 0 0... |
rmd17_aspirin | 3,286 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0853 -0.9881 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6650 0.9695 -1.6307 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6462 -0.4907 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8329 0.4352 -2.1761 C 0 0 0 0... |
rmd17_aspirin | 3,287 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2706 -0.4546 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8237 1.9026 0.6301 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8648 0.7752 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2443 1.9138 0.3967 C 0 0 0 0... |
rmd17_aspirin | 3,288 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3415 -0.5011 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7819 1.8432 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9878 0.7030 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2356 1.8483 -0.2806 C 0 0 0 0... |
rmd17_aspirin | 3,289 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1302 -1.0260 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5774 0.9702 -1.5698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5432 -0.5191 -1.5414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7680 0.4565 -2.2260 C 0 0 0 0... |
rmd17_aspirin | 3,290 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9059 -1.2698 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8915 1.2414 -1.3532 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4104 -0.5351 -1.5941 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9903 0.7107 -2.0332 C 0 0 0 0... |
rmd17_aspirin | 3,291 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3268 -0.3645 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6741 1.8875 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8301 0.9329 -0.0718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0518 2.0309 -0.4302 C 0 0 0 0... |
rmd17_aspirin | 3,292 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5961 -1.5178 -0.7399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0316 1.1193 -1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4191 -0.8405 -1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1427 0.4816 -1.8893 C 0 0 0 0... |
rmd17_aspirin | 3,293 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2858 -0.3184 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9452 2.0071 -0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0181 0.7794 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 1.9727 -0.4960 C 0 0 0 0... |
rmd17_aspirin | 3,294 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1363 -0.9583 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9103 1.1641 -1.5009 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7024 -0.4022 -1.4015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0841 0.6760 -2.1135 C 0 0 0 0... |
rmd17_aspirin | 3,295 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9432 -1.3934 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5677 1.5168 -0.4507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9157 -0.5232 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7517 0.8646 -0.8922 C 0 0 0 0... |
rmd17_aspirin | 3,296 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7848 -1.1908 -0.3172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4858 1.4969 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8307 -0.4345 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6473 0.9297 -1.0011 C 0 0 0 0... |
rmd17_aspirin | 3,297 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1955 -0.3961 -0.2194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8592 1.9959 0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9625 0.7310 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2692 1.9337 0.3238 C 0 0 0 0... |
rmd17_aspirin | 3,298 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2267 -0.6101 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6854 1.3213 -1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8461 0.3466 -1.0474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0581 1.3266 -1.6589 C 0 0 0 0... |
rmd17_aspirin | 3,299 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3626 -0.4873 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7268 1.8521 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9937 0.7586 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1710 1.9481 -0.0708 C 0 0 0 0... |
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