mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 3,100 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0325 -0.9324 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1374 1.3752 -1.3452 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 -0.4284 -1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2552 0.7129 -1.9150 C 0 0 0 0... |
rmd17_aspirin | 3,101 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8672 -1.2707 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9256 0.9217 -1.6822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6967 -0.6480 -1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 0.4818 -2.0039 C 0 0 0 0... |
rmd17_aspirin | 3,102 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0635 -1.0846 -0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8396 1.2262 -1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6169 -0.4984 -1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0201 0.5944 -2.1514 C 0 0 0 0... |
rmd17_aspirin | 3,103 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2850 -0.2611 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9042 2.0280 -0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8935 0.9747 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1674 2.1161 -0.0362 C 0 0 0 0... |
rmd17_aspirin | 3,104 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1135 -0.1155 0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8883 1.7494 -0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8062 0.9783 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1850 1.9519 -0.4488 C 0 0 0 0... |
rmd17_aspirin | 3,105 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0879 -0.9611 -0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8648 1.2201 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5833 -0.4503 -1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 0.6884 -2.0076 C 0 0 0 0... |
rmd17_aspirin | 3,106 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9193 -1.1102 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 1.3021 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5102 -0.5181 -1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0181 0.6386 -1.8570 C 0 0 0 0... |
rmd17_aspirin | 3,107 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3165 -0.2497 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8897 2.0679 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0273 0.9661 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2783 2.1422 -0.0854 C 0 0 0 0... |
rmd17_aspirin | 3,108 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8851 -1.3835 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6542 0.9817 -1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5547 -0.6744 -1.5249 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9176 0.4846 -2.0812 C 0 0 0 0... |
rmd17_aspirin | 3,109 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1777 -0.3587 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7724 1.9363 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9343 0.8385 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1971 2.0841 -0.2998 C 0 0 0 0... |
rmd17_aspirin | 3,110 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8356 -1.1479 -0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1902 1.4804 -1.2259 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5379 -0.5053 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2741 0.8434 -1.8768 C 0 0 0 0... |
rmd17_aspirin | 3,111 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2468 -0.8161 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0236 1.1074 -1.5684 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9117 -0.3995 -1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2875 0.5684 -1.9133 C 0 0 0 0... |
rmd17_aspirin | 3,112 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8427 -1.1295 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0770 1.4106 -1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4185 -0.5362 -1.6766 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9849 0.6708 -2.1447 C 0 0 0 0... |
rmd17_aspirin | 3,113 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2460 -0.3261 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8618 2.0138 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9689 0.7957 0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2822 1.9763 0.2307 C 0 0 0 0... |
rmd17_aspirin | 3,114 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4512 -0.2154 0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5009 1.1218 -1.3966 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7824 0.7590 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8441 1.3541 -1.6027 C 0 0 0 0... |
rmd17_aspirin | 3,115 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1433 -0.7153 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8148 1.3251 -1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8654 0.1834 -1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1582 1.1743 -1.7980 C 0 0 0 0... |
rmd17_aspirin | 3,116 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2946 -0.3674 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6892 1.7833 0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7871 0.8741 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0456 1.9787 0.5867 C 0 0 0 0... |
rmd17_aspirin | 3,117 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7221 -1.4550 -0.7819 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2893 1.4094 -0.5072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5486 -0.4963 -1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3546 0.8686 -1.1953 C 0 0 0 0... |
rmd17_aspirin | 3,118 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6505 -1.5471 -0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9786 1.1247 -1.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3719 -0.8000 -1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0886 0.5236 -1.9569 C 0 0 0 0... |
rmd17_aspirin | 3,119 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1853 0.0826 0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0375 1.5270 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9226 0.8695 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3937 1.6327 -1.0897 C 0 0 0 0... |
rmd17_aspirin | 3,120 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9897 -1.2291 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3808 1.3871 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9329 -0.3952 -0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5646 0.9156 -1.1468 C 0 0 0 0... |
rmd17_aspirin | 3,121 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3212 -0.5084 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9502 1.9877 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0146 0.7494 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3134 1.8815 0.3691 C 0 0 0 0... |
rmd17_aspirin | 3,122 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0792 -0.3803 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9364 2.0665 -0.3426 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8191 0.8301 0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2658 2.0590 0.1372 C 0 0 0 0... |
rmd17_aspirin | 3,123 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2892 -0.7739 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7968 1.3195 -1.5115 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9136 0.1842 -1.2456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 1.2465 -1.7095 C 0 0 0 0... |
rmd17_aspirin | 3,124 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2643 -0.4170 -0.2524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7088 1.8377 0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8813 0.8046 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1470 1.9135 0.0357 C 0 0 0 0... |
rmd17_aspirin | 3,125 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2772 -0.2900 0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9210 1.6904 -0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9486 0.7973 -0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2925 1.8529 -0.8341 C 0 0 0 0... |
rmd17_aspirin | 3,126 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1017 0.2719 0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9456 1.0063 -1.6315 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4896 1.4251 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9815 1.7100 -1.0181 C 0 0 0 0... |
rmd17_aspirin | 3,127 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8738 -1.1469 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9137 1.0835 -1.6098 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5346 -0.6408 -1.5427 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1109 0.5465 -2.0734 C 0 0 0 0... |
rmd17_aspirin | 3,128 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1316 -0.7474 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0036 1.0916 -1.7269 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8867 -0.1212 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3104 0.7269 -1.9711 C 0 0 0 0... |
rmd17_aspirin | 3,129 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7670 -1.2420 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7561 1.4941 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9202 -0.6195 -0.7587 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8814 0.7866 -0.6519 C 0 0 0 0... |
rmd17_aspirin | 3,130 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0929 -1.1423 -0.4074 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8150 1.1723 -1.5878 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4976 -0.5845 -1.5957 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8348 0.5398 -2.1598 C 0 0 0 0... |
rmd17_aspirin | 3,131 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1831 -0.9879 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2564 1.2867 -1.3567 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0140 -0.4208 -0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 0.6004 -1.6047 C 0 0 0 0... |
rmd17_aspirin | 3,132 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3720 -0.5032 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6956 1.6697 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9281 0.7279 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0497 1.6979 -0.4810 C 0 0 0 0... |
rmd17_aspirin | 3,133 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3795 -0.2387 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6781 1.8645 -0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 0.9416 -0.2856 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0455 1.9336 -0.7787 C 0 0 0 0... |
rmd17_aspirin | 3,134 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3145 -0.4712 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7523 1.8501 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9442 0.7139 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1170 1.8754 -0.2645 C 0 0 0 0... |
rmd17_aspirin | 3,135 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3178 -0.4144 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9216 2.0585 -0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0037 0.8483 -0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 2.0360 -0.2950 C 0 0 0 0... |
rmd17_aspirin | 3,136 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1650 -0.4008 0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6273 0.6393 -2.1419 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7001 0.4655 -0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0224 0.9349 -1.9499 C 0 0 0 0... |
rmd17_aspirin | 3,137 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2328 -0.9245 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6966 0.7097 -1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8702 -0.1444 -1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0733 0.6654 -1.7869 C 0 0 0 0... |
rmd17_aspirin | 3,138 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2156 -0.2968 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1079 1.5229 -1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0070 0.6924 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4954 1.7916 -0.8996 C 0 0 0 0... |
rmd17_aspirin | 3,139 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8749 -1.3609 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0585 1.2182 -1.4549 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4823 -0.7755 -1.7215 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0056 0.4506 -2.1584 C 0 0 0 0... |
rmd17_aspirin | 3,140 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8844 -1.3340 -0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2245 1.2070 -0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7243 -0.5717 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3622 0.7317 -1.3628 C 0 0 0 0... |
rmd17_aspirin | 3,141 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.5545 -1.3924 -0.7435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7405 0.9145 -1.8825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3470 -0.9087 -1.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8767 0.2485 -2.3921 C 0 0 0 0... |
rmd17_aspirin | 3,142 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2103 -0.8754 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5784 0.7975 -1.6163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7099 -0.2987 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9509 0.5275 -1.9555 C 0 0 0 0... |
rmd17_aspirin | 3,143 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3970 -0.3144 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0020 2.0546 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1180 0.8782 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4114 2.0667 -0.1703 C 0 0 0 0... |
rmd17_aspirin | 3,144 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9011 -1.1555 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1555 1.3286 -1.4706 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6868 -0.5744 -1.4341 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2771 0.7027 -1.9457 C 0 0 0 0... |
rmd17_aspirin | 3,145 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1090 -0.2991 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9223 1.7779 -0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7392 0.9668 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1784 1.9181 -0.3204 C 0 0 0 0... |
rmd17_aspirin | 3,146 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0632 -1.2384 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7318 0.9911 -1.5846 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4544 -0.7030 -1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7174 0.3145 -2.2582 C 0 0 0 0... |
rmd17_aspirin | 3,147 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0357 -1.0259 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9875 1.2542 -1.4505 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7244 -0.4462 -1.2109 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2205 0.6687 -1.8788 C 0 0 0 0... |
rmd17_aspirin | 3,148 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0930 -1.0219 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 1.2360 -1.5004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8459 -0.3793 -1.3365 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3899 0.8669 -1.8192 C 0 0 0 0... |
rmd17_aspirin | 3,149 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1667 -0.0725 0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7990 0.8190 -2.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9706 0.5153 -0.8983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2051 0.7860 -2.0701 C 0 0 0 0... |
rmd17_aspirin | 3,150 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3995 -0.3143 0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7985 1.8157 -0.7393 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9849 0.8709 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1600 1.9861 -0.4073 C 0 0 0 0... |
rmd17_aspirin | 3,151 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2691 -0.4726 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7782 1.8009 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8908 0.8070 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1515 1.9601 0.1364 C 0 0 0 0... |
rmd17_aspirin | 3,152 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9781 -1.1244 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9594 1.2709 -1.6166 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6214 -0.4813 -1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1878 0.7459 -2.1342 C 0 0 0 0... |
rmd17_aspirin | 3,153 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.4854 -1.4770 -0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7851 1.0398 -1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3280 -0.8009 -1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9688 0.5260 -2.1140 C 0 0 0 0... |
rmd17_aspirin | 3,154 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4201 -0.2722 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6078 1.7826 0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9349 0.9012 0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9936 1.9849 0.4500 C 0 0 0 0... |
rmd17_aspirin | 3,155 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2242 -0.4340 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0068 1.7856 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8562 0.8028 0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2700 1.8925 -0.4779 C 0 0 0 0... |
rmd17_aspirin | 3,156 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2007 -1.0647 -0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7269 0.9611 -1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6749 -0.5338 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9357 0.5050 -2.2403 C 0 0 0 0... |
rmd17_aspirin | 3,157 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2147 -0.3451 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4973 0.8189 -1.7424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7054 0.5242 -0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8699 1.1630 -1.8441 C 0 0 0 0... |
rmd17_aspirin | 3,158 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7064 -1.3260 -0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6682 1.4846 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8428 -0.5048 -0.9507 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8464 0.8228 -0.5898 C 0 0 0 0... |
rmd17_aspirin | 3,159 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7762 -1.3492 -0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2912 1.5151 -0.4456 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7015 -0.5303 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4727 0.8846 -1.0798 C 0 0 0 0... |
rmd17_aspirin | 3,160 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3193 -0.3502 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8449 2.0454 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9727 0.7760 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2673 2.0023 -0.3385 C 0 0 0 0... |
rmd17_aspirin | 3,161 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0039 -1.1873 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0374 1.2750 -1.5879 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7034 -0.4804 -1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 0.7062 -2.0509 C 0 0 0 0... |
rmd17_aspirin | 3,162 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1802 -0.4353 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0003 1.8871 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0143 0.6796 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3292 1.9227 0.4334 C 0 0 0 0... |
rmd17_aspirin | 3,163 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1553 -0.9484 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4727 0.6398 -1.6161 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6304 -0.4323 -1.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7984 0.4105 -2.1223 C 0 0 0 0... |
rmd17_aspirin | 3,164 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2258 -0.8066 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8005 0.9016 -1.6234 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5234 -0.5111 -1.4375 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9545 0.4446 -2.2084 C 0 0 0 0... |
rmd17_aspirin | 3,165 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2492 -0.3651 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7777 1.8683 0.6256 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9106 0.8409 0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1366 1.9393 0.4197 C 0 0 0 0... |
rmd17_aspirin | 3,166 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2964 -0.2685 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 2.0340 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9500 0.9913 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2103 2.1486 0.0802 C 0 0 0 0... |
rmd17_aspirin | 3,167 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2730 -0.5428 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7595 0.7573 -1.9763 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9407 0.1412 -1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1997 0.6844 -2.0612 C 0 0 0 0... |
rmd17_aspirin | 3,168 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8294 -1.2273 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4395 1.4422 -0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7829 -0.4370 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5407 0.8538 -1.1719 C 0 0 0 0... |
rmd17_aspirin | 3,169 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2856 -0.3469 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8019 1.7996 0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9713 0.8501 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2090 1.9296 0.2744 C 0 0 0 0... |
rmd17_aspirin | 3,170 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9232 -1.2576 -0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4670 1.4778 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9258 -0.4698 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5846 0.8952 -1.0303 C 0 0 0 0... |
rmd17_aspirin | 3,171 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4136 -0.3611 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7392 1.9296 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0290 0.8476 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1348 2.0236 0.2745 C 0 0 0 0... |
rmd17_aspirin | 3,172 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0955 -0.3240 -0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8810 1.7820 0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8305 0.8630 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1570 1.8919 0.2659 C 0 0 0 0... |
rmd17_aspirin | 3,173 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3837 -0.3719 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6966 1.9143 0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9604 0.9439 -0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0499 1.9710 0.1968 C 0 0 0 0... |
rmd17_aspirin | 3,174 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1086 -0.9684 -0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8409 1.1467 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7497 -0.3423 -1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0879 0.6478 -2.0158 C 0 0 0 0... |
rmd17_aspirin | 3,175 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4610 -0.3921 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6455 1.8641 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8473 0.9549 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0178 2.0518 -0.1153 C 0 0 0 0... |
rmd17_aspirin | 3,176 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7076 -1.3509 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7136 1.0010 -1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4680 -0.6541 -1.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9758 0.5884 -1.8859 C 0 0 0 0... |
rmd17_aspirin | 3,177 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2223 -0.3658 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0285 1.7940 -0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9812 0.8162 -0.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3724 1.8906 -0.7530 C 0 0 0 0... |
rmd17_aspirin | 3,178 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3183 -0.3375 0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6401 1.7928 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8963 0.8690 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0124 1.9606 -0.1026 C 0 0 0 0... |
rmd17_aspirin | 3,179 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2283 -0.4220 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7625 1.0819 -1.9151 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8569 0.1522 -1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1527 0.8426 -2.1213 C 0 0 0 0... |
rmd17_aspirin | 3,180 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0425 -0.9290 -0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1466 1.4364 -1.4673 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8679 -0.2960 -1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3945 0.8757 -1.7925 C 0 0 0 0... |
rmd17_aspirin | 3,181 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3006 -0.3927 -0.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6481 1.8165 0.8156 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8693 0.9406 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0224 2.0443 0.4925 C 0 0 0 0... |
rmd17_aspirin | 3,182 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9843 -1.2009 -0.4594 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8013 1.0361 -1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4259 -0.8169 -1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8801 0.3876 -2.1943 C 0 0 0 0... |
rmd17_aspirin | 3,183 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7568 -1.2498 -0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0408 1.5136 -1.1873 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5589 -0.4859 -1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2368 0.8025 -1.7593 C 0 0 0 0... |
rmd17_aspirin | 3,184 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3144 -0.2581 0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7898 1.3984 -1.3902 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8993 0.7947 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1858 1.7007 -1.1664 C 0 0 0 0... |
rmd17_aspirin | 3,185 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2150 -0.9735 -0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5935 0.9730 -1.5877 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4764 -0.5467 -1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6909 0.4508 -2.1726 C 0 0 0 0... |
rmd17_aspirin | 3,186 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2475 -0.3922 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8825 1.8481 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9294 0.8226 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2593 1.9899 0.3074 C 0 0 0 0... |
rmd17_aspirin | 3,187 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1912 -1.0074 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5678 0.9748 -1.5669 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5104 -0.5288 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7501 0.4579 -2.2189 C 0 0 0 0... |
rmd17_aspirin | 3,188 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2325 -0.9339 -0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7712 1.0366 -1.6722 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6580 -0.4628 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8556 0.4397 -2.2330 C 0 0 0 0... |
rmd17_aspirin | 3,189 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1741 -0.4156 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8192 1.9741 -0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8482 0.8252 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1705 2.0487 0.0255 C 0 0 0 0... |
rmd17_aspirin | 3,190 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7387 -1.3460 -0.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6180 1.5241 -0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8766 -0.5416 -0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7463 0.9170 -0.9034 C 0 0 0 0... |
rmd17_aspirin | 3,191 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0052 -1.0103 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1492 1.3184 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7541 -0.4474 -1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3526 0.6747 -1.8486 C 0 0 0 0... |
rmd17_aspirin | 3,192 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7829 -1.5164 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8222 0.9855 -1.3409 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4757 -0.7926 -1.5355 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9537 0.4854 -1.9409 C 0 0 0 0... |
rmd17_aspirin | 3,193 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3590 -0.3038 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5882 1.7881 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7966 1.0168 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9229 2.0118 0.3284 C 0 0 0 0... |
rmd17_aspirin | 3,194 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0892 0.2388 0.9614 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7973 1.1478 -1.3423 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5793 1.3070 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9109 1.7281 -0.9516 C 0 0 0 0... |
rmd17_aspirin | 3,195 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9892 -1.0830 -0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8930 0.9716 -1.5678 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5657 -0.7403 -1.6148 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9786 0.3538 -2.2122 C 0 0 0 0... |
rmd17_aspirin | 3,196 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8142 -1.3183 -0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3843 1.4525 -0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8731 -0.4246 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5838 0.9181 -0.7603 C 0 0 0 0... |
rmd17_aspirin | 3,197 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9552 -1.1741 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9230 1.2160 -1.4597 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4879 -0.6794 -1.5886 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9159 0.5074 -2.1054 C 0 0 0 0... |
rmd17_aspirin | 3,198 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7767 -1.2303 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1358 1.4378 -1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5250 -0.5405 -1.4929 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2418 0.8398 -1.6802 C 0 0 0 0... |
rmd17_aspirin | 3,199 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0668 -1.0157 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4871 0.6535 -1.7750 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6064 -0.4071 -1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8099 0.3768 -2.0931 C 0 0 0 0... |
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