mol_type stringclasses 10
values | frame_idx int32 0 100k | mol_block stringlengths 806 2.08k |
|---|---|---|
rmd17_aspirin | 3,700 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2757 -0.3678 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9357 2.0544 0.3701 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0095 0.7875 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3545 1.9889 0.2681 C 0 0 0 0... |
rmd17_aspirin | 3,701 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0069 -1.0473 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6575 0.9621 -1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4381 -0.6559 -1.6724 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8190 0.3891 -2.3050 C 0 0 0 0... |
rmd17_aspirin | 3,702 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3890 -0.3291 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7476 1.7049 -0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9115 0.8645 -0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1459 1.8304 -0.6536 C 0 0 0 0... |
rmd17_aspirin | 3,703 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1426 -0.9205 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9777 1.1071 -1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8582 -0.3265 -1.3314 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2084 0.6229 -2.1042 C 0 0 0 0... |
rmd17_aspirin | 3,704 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3174 -0.9780 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4954 0.5693 -2.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7693 -0.2703 -1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8580 0.3627 -2.3647 C 0 0 0 0... |
rmd17_aspirin | 3,705 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9588 -1.2106 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7585 1.0482 -1.5827 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4122 -0.7461 -1.5472 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9214 0.4495 -2.1285 C 0 0 0 0... |
rmd17_aspirin | 3,706 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0273 -1.2457 -0.2152 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9488 1.1996 -1.1659 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7155 -0.5760 -1.2546 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1121 0.6451 -1.7328 C 0 0 0 0... |
rmd17_aspirin | 3,707 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8902 -1.2338 -0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9360 1.2090 -1.4917 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3115 -0.7267 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 0.5428 -2.1636 C 0 0 0 0... |
rmd17_aspirin | 3,708 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0415 -1.1887 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6297 0.8956 -1.6823 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4327 -0.7740 -1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6708 0.1941 -2.2879 C 0 0 0 0... |
rmd17_aspirin | 3,709 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1927 -0.7566 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6079 0.2569 -2.1199 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8781 -0.3908 -1.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9624 0.0834 -2.2950 C 0 0 0 0... |
rmd17_aspirin | 3,710 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9573 -1.3191 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3731 1.5270 -0.6322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8496 -0.3774 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6538 1.0544 -0.8698 C 0 0 0 0... |
rmd17_aspirin | 3,711 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2459 -0.2979 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8052 1.9451 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9635 0.9232 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1804 2.0150 -0.2664 C 0 0 0 0... |
rmd17_aspirin | 3,712 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0840 -1.0826 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9400 1.2289 -1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7144 -0.5235 -1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 0.7038 -1.9525 C 0 0 0 0... |
rmd17_aspirin | 3,713 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3254 -0.5558 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8973 1.7956 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0575 0.6984 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2996 1.8587 0.0852 C 0 0 0 0... |
rmd17_aspirin | 3,714 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0565 -1.1126 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8419 1.1338 -1.6668 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5488 -0.5158 -1.5204 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9905 0.4462 -2.2704 C 0 0 0 0... |
rmd17_aspirin | 3,715 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2455 -1.0310 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8512 1.0330 -1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7728 -0.4038 -1.4183 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0584 0.6510 -1.9812 C 0 0 0 0... |
rmd17_aspirin | 3,716 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1485 -0.9347 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8161 1.0488 -1.6961 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 -0.4398 -1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9775 0.4270 -2.2356 C 0 0 0 0... |
rmd17_aspirin | 3,717 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1869 -0.3368 -0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7771 1.8564 0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8409 0.8651 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1624 1.8999 0.4137 C 0 0 0 0... |
rmd17_aspirin | 3,718 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6178 -1.5376 -0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8053 1.0984 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3111 -0.7125 -1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8822 0.6287 -2.0149 C 0 0 0 0... |
rmd17_aspirin | 3,719 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1030 -1.0715 -0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7752 1.0292 -1.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5444 -0.7763 -1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8637 0.2791 -2.1198 C 0 0 0 0... |
rmd17_aspirin | 3,720 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7955 -1.1519 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9192 1.2166 -1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4678 -0.6154 -1.5475 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0321 0.6545 -1.9761 C 0 0 0 0... |
rmd17_aspirin | 3,721 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9160 -1.3252 -0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5865 1.4980 -0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9461 -0.4005 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8865 0.9949 -0.6720 C 0 0 0 0... |
rmd17_aspirin | 3,722 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2901 -0.6710 -0.2214 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8079 0.9852 -1.7028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9315 0.0071 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2247 0.8745 -1.9480 C 0 0 0 0... |
rmd17_aspirin | 3,723 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2898 -0.4857 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6658 1.1546 -1.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8263 0.1559 -1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0187 0.9408 -2.0522 C 0 0 0 0... |
rmd17_aspirin | 3,724 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2071 -0.8571 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9879 1.0624 -1.5072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8052 -0.5310 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1644 0.5385 -1.9311 C 0 0 0 0... |
rmd17_aspirin | 3,725 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2051 -0.3992 0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9680 2.0182 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8998 0.8175 0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3221 1.9892 0.0463 C 0 0 0 0... |
rmd17_aspirin | 3,726 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3160 -0.5165 0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6110 1.6528 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8161 0.7769 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0027 1.8333 0.0699 C 0 0 0 0... |
rmd17_aspirin | 3,727 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2485 -0.4662 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8654 1.9723 0.3509 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7731 0.7876 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2122 2.0226 0.0081 C 0 0 0 0... |
rmd17_aspirin | 3,728 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9519 0.3711 1.1142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7663 1.1940 -1.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6496 1.3115 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0802 1.7802 -0.9915 C 0 0 0 0... |
rmd17_aspirin | 3,729 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2836 -0.3486 0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8008 1.9753 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9019 0.9945 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1482 2.0913 -0.3557 C 0 0 0 0... |
rmd17_aspirin | 3,730 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2405 -0.3305 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7797 1.9490 -0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8707 0.8964 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1066 1.9877 0.0780 C 0 0 0 0... |
rmd17_aspirin | 3,731 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9032 -1.1305 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8579 1.1572 -1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5279 -0.5737 -1.6042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0138 0.6000 -2.0523 C 0 0 0 0... |
rmd17_aspirin | 3,732 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2112 -0.8470 -0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5577 0.2933 -2.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7222 -0.6235 -1.5701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8307 -0.0538 -2.4868 C 0 0 0 0... |
rmd17_aspirin | 3,733 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2265 -0.3546 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8211 1.8777 -0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8130 0.8790 0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1342 2.0009 -0.0025 C 0 0 0 0... |
rmd17_aspirin | 3,734 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2215 -0.4807 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9307 2.0363 0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9548 0.6873 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3045 1.9541 0.2604 C 0 0 0 0... |
rmd17_aspirin | 3,735 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3279 -0.5189 0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7225 0.7086 -1.8201 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8825 -0.0089 -1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0785 0.5750 -2.0998 C 0 0 0 0... |
rmd17_aspirin | 3,736 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9400 -1.2947 -0.1882 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4782 1.3866 -0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9165 -0.4589 -0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6502 0.8169 -1.1273 C 0 0 0 0... |
rmd17_aspirin | 3,737 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1767 -0.9173 -0.0834 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7719 0.7286 -1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6956 -0.6987 -1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9548 0.1360 -2.1627 C 0 0 0 0... |
rmd17_aspirin | 3,738 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0339 -0.9744 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8046 0.9473 -1.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6184 -0.5396 -1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0208 0.4476 -2.0738 C 0 0 0 0... |
rmd17_aspirin | 3,739 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8064 -1.2982 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5538 1.5244 -0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8979 -0.4371 -0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7821 0.8931 -0.9403 C 0 0 0 0... |
rmd17_aspirin | 3,740 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1033 -0.3408 0.4363 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7206 1.6494 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8395 0.8137 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1023 1.7930 -0.5529 C 0 0 0 0... |
rmd17_aspirin | 3,741 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.4587 -0.3481 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 1.6780 -0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0525 0.9430 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1042 1.8584 -0.6190 C 0 0 0 0... |
rmd17_aspirin | 3,742 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8155 -1.1902 -0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0561 1.4186 -1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3438 -0.4355 -1.6029 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0538 0.7890 -2.0549 C 0 0 0 0... |
rmd17_aspirin | 3,743 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0967 -0.8236 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0203 1.1314 -1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8993 -0.2672 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3881 0.7659 -1.8299 C 0 0 0 0... |
rmd17_aspirin | 3,744 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3619 -0.3558 0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8339 1.6790 -0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9231 0.8513 -0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2223 1.8999 -0.6387 C 0 0 0 0... |
rmd17_aspirin | 3,745 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2225 -0.2021 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8031 1.4797 -1.1629 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8606 1.0375 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0779 1.7805 -0.6850 C 0 0 0 0... |
rmd17_aspirin | 3,746 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1283 -0.3362 0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7857 1.1987 -1.8293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8059 0.3483 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1553 0.9636 -2.0453 C 0 0 0 0... |
rmd17_aspirin | 3,747 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9726 -1.2348 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3161 1.4200 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6110 -0.3553 -1.1293 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3620 0.9554 -1.1939 C 0 0 0 0... |
rmd17_aspirin | 3,748 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2056 -0.3213 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8091 2.0729 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8757 0.8266 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1720 1.9575 -0.4607 C 0 0 0 0... |
rmd17_aspirin | 3,749 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3120 -0.5101 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8296 1.8549 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9495 0.7261 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1998 1.9358 0.0104 C 0 0 0 0... |
rmd17_aspirin | 3,750 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1579 -0.2357 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8500 1.8892 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9018 0.9107 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2517 1.9608 -0.5295 C 0 0 0 0... |
rmd17_aspirin | 3,751 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8422 -1.2401 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0382 1.3332 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4558 -0.7251 -1.5378 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0546 0.5775 -2.0034 C 0 0 0 0... |
rmd17_aspirin | 3,752 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9554 -1.1091 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8616 1.2730 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4360 -0.5033 -1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9329 0.6944 -1.9557 C 0 0 0 0... |
rmd17_aspirin | 3,753 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1525 -0.7634 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9409 1.0812 -1.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8646 -0.2918 -1.0435 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2792 0.5934 -1.9132 C 0 0 0 0... |
rmd17_aspirin | 3,754 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.7150 -1.2567 -0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6482 1.4145 -0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8554 -0.5578 -0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8539 0.8115 -0.9716 C 0 0 0 0... |
rmd17_aspirin | 3,755 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1339 -0.3473 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9186 1.9114 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8738 0.8063 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3087 1.9953 0.2536 C 0 0 0 0... |
rmd17_aspirin | 3,756 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2831 -0.5264 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8275 1.7592 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9497 0.7411 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1634 1.8978 -0.3258 C 0 0 0 0... |
rmd17_aspirin | 3,757 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3193 -0.5553 0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8595 0.6575 -1.8251 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9912 -0.1296 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1938 0.3744 -2.0727 C 0 0 0 0... |
rmd17_aspirin | 3,758 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2492 -0.3218 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8746 2.0020 -0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8564 0.9543 0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1616 2.1244 -0.0020 C 0 0 0 0... |
rmd17_aspirin | 3,759 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9133 -1.3232 -0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4341 1.3975 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9095 -0.5253 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6756 0.8309 -0.6834 C 0 0 0 0... |
rmd17_aspirin | 3,760 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3452 -0.4707 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7429 1.7091 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9351 0.8061 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0933 1.8497 -0.5176 C 0 0 0 0... |
rmd17_aspirin | 3,761 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6461 -1.5764 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9671 1.1197 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3117 -0.7412 -1.8431 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0312 0.6053 -1.9511 C 0 0 0 0... |
rmd17_aspirin | 3,762 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3138 -0.8780 -0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6537 0.7830 -1.6954 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7266 -0.5680 -1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8827 0.1141 -2.2371 C 0 0 0 0... |
rmd17_aspirin | 3,763 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0032 -1.1645 -0.3667 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7941 0.9717 -1.6311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4418 -0.8813 -1.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8360 0.2946 -2.2057 C 0 0 0 0... |
rmd17_aspirin | 3,764 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1297 -1.0486 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5919 0.9616 -1.6147 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5388 -0.4840 -1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7830 0.4097 -2.1501 C 0 0 0 0... |
rmd17_aspirin | 3,765 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0951 -1.0504 -0.3406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9495 1.2532 -1.6209 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6874 -0.5427 -1.4775 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2261 0.7401 -2.0109 C 0 0 0 0... |
rmd17_aspirin | 3,766 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2450 -0.9502 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7974 1.1228 -1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5776 -0.4639 -1.5037 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8303 0.5021 -2.1299 C 0 0 0 0... |
rmd17_aspirin | 3,767 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8940 -1.1613 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9895 1.3633 -1.3042 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5337 -0.4813 -1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2003 0.7995 -1.8167 C 0 0 0 0... |
rmd17_aspirin | 3,768 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2874 -0.3770 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6467 1.6745 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9247 0.8393 0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0088 1.9285 0.3229 C 0 0 0 0... |
rmd17_aspirin | 3,769 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1734 -0.9926 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7769 1.0462 -1.6059 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7631 -0.4731 -1.4324 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0252 0.4944 -2.1527 C 0 0 0 0... |
rmd17_aspirin | 3,770 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0770 -1.0524 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8065 1.0413 -1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5434 -0.6356 -1.6827 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8979 0.4352 -2.2661 C 0 0 0 0... |
rmd17_aspirin | 3,771 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1700 -0.6040 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6711 1.0930 -1.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8231 0.4988 -0.6168 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1012 1.2662 -1.4983 C 0 0 0 0... |
rmd17_aspirin | 3,772 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1996 -0.3054 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8387 2.0461 0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9072 0.9802 -0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 2.1710 -0.0793 C 0 0 0 0... |
rmd17_aspirin | 3,773 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1764 -0.4749 0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7482 1.9624 -0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8541 0.7816 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1743 1.9886 0.1858 C 0 0 0 0... |
rmd17_aspirin | 3,774 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8531 -1.3208 -0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6718 0.8719 -1.9051 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4734 -0.7732 -1.6641 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8633 0.3840 -2.3553 C 0 0 0 0... |
rmd17_aspirin | 3,775 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8965 -1.1201 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0348 1.3717 -1.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5217 -0.5160 -1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0288 0.7459 -1.9426 C 0 0 0 0... |
rmd17_aspirin | 3,776 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.6068 -1.4632 -0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6649 0.9269 -1.7707 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3777 -0.6195 -1.4498 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9282 0.5821 -2.0483 C 0 0 0 0... |
rmd17_aspirin | 3,777 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2589 -0.4051 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9264 2.0562 0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9147 0.8159 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3183 2.1228 0.2233 C 0 0 0 0... |
rmd17_aspirin | 3,778 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1615 -0.4136 0.6565 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7829 1.6568 -0.7492 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8430 0.7055 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1644 1.7204 -0.7325 C 0 0 0 0... |
rmd17_aspirin | 3,779 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9661 -1.1940 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3838 1.4238 -0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9933 -0.2992 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7543 1.0089 -0.8577 C 0 0 0 0... |
rmd17_aspirin | 3,780 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0649 -0.9975 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0438 1.1872 -1.5407 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7106 -0.5390 -1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1660 0.5382 -1.9754 C 0 0 0 0... |
rmd17_aspirin | 3,781 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9639 -1.1169 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0973 1.2345 -1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7425 -0.5181 -1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3310 0.6250 -2.1498 C 0 0 0 0... |
rmd17_aspirin | 3,782 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2874 -0.3889 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9632 2.0642 0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9003 0.8028 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3139 2.0894 0.1611 C 0 0 0 0... |
rmd17_aspirin | 3,783 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2856 -0.4251 0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8806 1.8147 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8296 0.8787 0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1885 2.0365 -0.2517 C 0 0 0 0... |
rmd17_aspirin | 3,784 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.9140 -1.2730 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5183 1.4526 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9423 -0.4752 -0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7329 0.8550 -1.2026 C 0 0 0 0... |
rmd17_aspirin | 3,785 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0150 0.4548 0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9677 0.9249 -1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5730 1.5011 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0992 1.6140 -1.1226 C 0 0 0 0... |
rmd17_aspirin | 3,786 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3535 -0.3203 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7061 1.9509 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9093 0.9568 0.1565 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0720 2.0266 0.2891 C 0 0 0 0... |
rmd17_aspirin | 3,787 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2519 -0.4070 -0.2035 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9526 2.0403 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0277 0.8178 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4318 2.0679 0.3567 C 0 0 0 0... |
rmd17_aspirin | 3,788 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2941 -0.3802 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7892 2.0936 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8916 0.8412 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1264 1.9501 -0.5230 C 0 0 0 0... |
rmd17_aspirin | 3,789 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1758 -0.7565 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 1.3961 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8022 0.0292 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9733 1.1266 -1.6798 C 0 0 0 0... |
rmd17_aspirin | 3,790 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3260 -0.4229 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6592 1.8031 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.8300 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0556 1.9403 -0.1219 C 0 0 0 0... |
rmd17_aspirin | 3,791 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0397 -1.2486 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1849 1.2109 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9082 -0.4853 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4310 0.6979 -1.4334 C 0 0 0 0... |
rmd17_aspirin | 3,792 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.3160 -0.3700 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8293 2.1074 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8860 0.7624 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1732 1.9805 -0.5632 C 0 0 0 0... |
rmd17_aspirin | 3,793 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.0837 -1.1193 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5668 0.8782 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5854 -0.4984 -1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8225 0.5182 -2.0502 C 0 0 0 0... |
rmd17_aspirin | 3,794 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1509 -0.1220 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8514 1.5851 -1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8297 0.8306 0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2077 1.7428 -0.7213 C 0 0 0 0... |
rmd17_aspirin | 3,795 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
1.8449 -1.3478 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8726 1.0975 -1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2291 -0.7846 -1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9086 0.4759 -2.1869 C 0 0 0 0... |
rmd17_aspirin | 3,796 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2670 -0.1179 0.5716 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8650 1.5777 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8433 1.0566 0.1884 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 1.8795 -0.7365 C 0 0 0 0... |
rmd17_aspirin | 3,797 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2206 -0.2985 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9037 2.0819 -0.1822 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9353 0.7763 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2991 1.9804 -0.3719 C 0 0 0 0... |
rmd17_aspirin | 3,798 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.1839 -0.2355 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8723 1.6357 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8532 0.8476 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2527 1.8255 -0.8594 C 0 0 0 0... |
rmd17_aspirin | 3,799 |
RDKit 3D
21 21 0 0 0 0 0 0 0 0999 V2000
2.2129 -0.5969 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7002 1.3350 -1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7783 0.3146 -1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0479 1.3404 -1.7654 C 0 0 0 0... |
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