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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| 1sa.mol | 2026-01-14 00:06 | 706 | |
| 1sa.pdb | 2026-01-14 00:06 | 622 | |
| 2sa-1-T5fromT24.xyz | 2026-01-13 23:34 | 1.0K | |
| 4_out_lingad.smi | 2026-01-13 08:08 | 99 | |
| H_C7BD81.Q.prm | 2026-01-14 00:08 | 41K | |
| H_C7BD81.cms | 2026-01-14 00:08 | 96K | |
| H_C7BD81.gro | 2026-01-14 00:08 | 3.4K | |
| H_C7BD81.itp | 2026-01-14 00:08 | 48K | |
| H_C7BD81.key | 2026-01-14 00:08 | 50K | |
| H_C7BD81.lib | 2026-01-14 00:08 | 5.6K | |
| H_C7BD81.lmp | 2026-01-14 00:08 | 55K | |
| H_C7BD81.param | 2026-01-14 00:08 | 90K | |
| H_C7BD81.pdb | 2026-01-14 00:08 | 5.5K | |
| H_C7BD81.pqr | 2026-01-14 00:08 | 6.6K | |
| H_C7BD81.prm | 2026-01-14 00:08 | 57K | |
| H_C7BD81.rtf | 2026-01-14 00:08 | 5.7K | |
| H_C7BD81.top | 2026-01-14 00:08 | 7.6K | |
| H_C7BD81.xml | 2026-01-14 00:08 | 124K | |
| H_C7BD81.xyz | 2026-01-14 00:08 | 4.9K | |
| H_C7BD81.z | 2026-01-14 00:08 | 23K | |
| H_C7BD81.zip | 2026-01-14 00:08 | 76K | |
| IMPHY001704_3D (1).mol | 2026-01-14 00:05 | 15K | |
| IMPHY001704_3D.mol | 2026-01-13 23:36 | 15K | |
| IMPHY012392.mol | 2026-01-13 23:51 | 18K | |
| LBCC_BONDS.csv | 2026-01-14 00:06 | 268 | |
| LBCC_CHARGES.csv | 2026-01-14 00:06 | 167 | |
| LLN | 2026-01-14 00:08 | 22K | |
| MOL.Q.prm | 2026-01-14 00:06 | 1.7K | |
| MOL.cms | 2026-01-14 00:06 | 7.2K | |
| MOL.gro | 2026-01-14 00:06 | 381 | |
| MOL.itp | 2026-01-14 00:06 | 2.8K | |
| MOL.key | 2026-01-14 00:06 | 4.5K | |
| MOL.lib | 2026-01-14 00:06 | 611 | |
| MOL.lmp | 2026-01-14 00:06 | 2.9K | |
| MOL.new.xyz | 2026-01-14 00:06 | 495 | |
| MOL.param | 2026-01-14 00:06 | 3.2K | |
| MOL.pdb | 2026-01-14 00:06 | 537 | |
| MOL.png | 2026-01-14 00:06 | 33K | |
| MOL.pqr | 2026-01-14 00:06 | 642 | |
| MOL.prm | 2026-01-14 00:06 | 2.1K | |
| MOL.rtf | 2026-01-14 00:06 | 562 | |
| MOL.top | 2026-01-14 00:06 | 930 | |
| MOL.xml | 2026-01-14 00:06 | 4.9K | |
| MOL.xyz | 2026-01-14 00:06 | 495 | |
| MOL.z | 2026-01-14 00:06 | 2.4K | |
| MOL_4C143F.Q.prm | 2026-01-14 00:06 | 1.7K | |
| MOL_4C143F.cms | 2026-01-14 00:06 | 7.2K | |
| MOL_4C143F.gro | 2026-01-14 00:06 | 381 | |
| MOL_4C143F.itp | 2026-01-14 00:06 | 2.8K | |
| MOL_4C143F.key | 2026-01-14 00:06 | 4.5K | |
| MOL_4C143F.lib | 2026-01-14 00:06 | 611 | |
| MOL_4C143F.lmp | 2026-01-14 00:06 | 2.9K | |
| MOL_4C143F.param | 2026-01-14 00:06 | 3.2K | |
| MOL_4C143F.pdb | 2026-01-14 00:06 | 537 | |
| MOL_4C143F.pqr | 2026-01-14 00:06 | 642 | |
| MOL_4C143F.prm | 2026-01-14 00:06 | 2.1K | |
| MOL_4C143F.rtf | 2026-01-14 00:06 | 562 | |
| MOL_4C143F.top | 2026-01-14 00:06 | 930 | |
| MOL_4C143F.xml | 2026-01-14 00:06 | 4.9K | |
| MOL_4C143F.xyz | 2026-01-14 00:06 | 495 | |
| MOL_4C143F.z | 2026-01-14 00:06 | 2.4K | |
| MOL_4C143F.zip | 2026-01-14 00:06 | 11K | |
| MOL_NO_LBCC.z | 2026-01-14 00:06 | 2.9K | |
| O.z | 2026-01-14 00:06 | 1.8K | |
| O_175448.Q.prm | 2026-01-13 23:18 | 4.5K | |
| O_175448.cms | 2026-01-13 23:18 | 15K | |
| O_175448.gro | 2026-01-13 23:18 | 696 | |
| O_175448.itp | 2026-01-13 23:18 | 6.8K | |
| O_175448.key | 2026-01-13 23:18 | 8.6K | |
| O_175448.lib | 2026-01-13 23:18 | 1.1K | |
| O_175448.lmp | 2026-01-13 23:18 | 7.5K | |
| O_175448.param | 2026-01-13 23:18 | 10K | |
| O_175448.pdb | 2026-01-13 23:18 | 1.0K | |
| O_175448.pqr | 2026-01-13 23:18 | 1.2K | |
| O_175448.prm | 2026-01-13 23:18 | 6.7K | |
| O_175448.rtf | 2026-01-13 23:18 | 1.1K | |
| O_175448.top | 2026-01-13 23:18 | 1.6K | |
| O_175448.xml | 2026-01-13 23:18 | 15K | |
| O_175448.xyz | 2026-01-13 23:18 | 957 | |
| O_175448.z | 2026-01-13 23:18 | 4.8K | |
| O_175448.zip | 2026-01-13 23:18 | 16K | |
| Oenothin1.mol | 2026-01-13 23:30 | 14K | |
| Oenothin1.pdb | 2026-01-13 23:30 | 15K | |
| Oenothin2.mol | 2026-01-13 23:34 | 17K | |
| Oenothin2.pdb | 2026-01-13 23:34 | 19K | |
| Thymol CID_6989.gjf | 2026-01-09 15:32 | 1.0K | |
| UNK.mol | 2026-01-14 00:08 | 326 | |
| UNK.smi | 2026-01-14 00:08 | 5 | |
| UNK.z | 2026-01-14 00:06 | 1.8K | |
| UNK_1B9975.Q.prm | 2026-01-13 23:37 | 23K | |
| UNK_1B9975.cms | 2026-01-13 23:37 | 65K | |
| UNK_1B9975.gro | 2026-01-13 23:37 | 2.7K | |
| UNK_1B9975.itp | 2026-01-13 23:37 | 32K | |
| UNK_1B9975.key | 2026-01-13 23:37 | 34K | |
| UNK_1B9975.lib | 2026-01-13 23:37 | 4.2K | |
| UNK_1B9975.lmp | 2026-01-13 23:37 | 36K | |
| UNK_1B9975.param | 2026-01-13 23:37 | 55K | |
| UNK_1B9975.pdb | 2026-01-13 23:37 | 4.2K | |
| UNK_1B9975.pqr | 2026-01-13 23:37 | 5.1K | |
| UNK_1B9975.prm | 2026-01-13 23:37 | 35K | |
| UNK_1B9975.rtf | 2026-01-13 23:37 | 4.3K | |
| UNK_1B9975.top | 2026-01-13 23:37 | 5.8K | |
| UNK_1B9975.xml | 2026-01-13 23:37 | 79K | |
| UNK_1B9975.xyz | 2026-01-13 23:37 | 3.8K | |
| UNK_1B9975.z | 2026-01-13 23:37 | 17K | |
| UNK_1B9975.zip | 2026-01-13 23:37 | 47K | |
| UNK_7F4940.Q.prm | 2026-01-13 23:34 | 5.8K | |
| UNK_7F4940.cms | 2026-01-13 23:34 | 18K | |
| UNK_7F4940.gro | 2026-01-13 23:34 | 921 | |
| UNK_7F4940.itp | 2026-01-13 23:34 | 8.3K | |
| UNK_7F4940.key | 2026-01-13 23:34 | 10K | |
| UNK_7F4940.lib | 2026-01-13 23:34 | 1.4K | |
| UNK_7F4940.lmp | 2026-01-13 23:34 | 9.3K | |
| UNK_7F4940.param | 2026-01-13 23:34 | 12K | |
| UNK_7F4940.pdb | 2026-01-13 23:34 | 1.4K | |
| UNK_7F4940.pqr | 2026-01-13 23:34 | 1.7K | |
| UNK_7F4940.prm | 2026-01-13 23:34 | 7.9K | |
| UNK_7F4940.rtf | 2026-01-13 23:34 | 1.4K | |
| UNK_7F4940.top | 2026-01-13 23:34 | 2.0K | |
| UNK_7F4940.xml | 2026-01-13 23:34 | 19K | |
| UNK_7F4940.xyz | 2026-01-13 23:34 | 1.3K | |
| UNK_7F4940.z | 2026-01-13 23:34 | 4.8K | |
| UNK_7F4940.zip | 2026-01-13 23:34 | 19K | |
| UNK_10F70E.Q.prm | 2026-01-13 23:12 | 4.5K | |
| UNK_10F70E.cms | 2026-01-13 23:12 | 15K | |
| UNK_10F70E.gro | 2026-01-13 23:12 | 696 | |
| UNK_10F70E.itp | 2026-01-13 23:12 | 6.8K | |
| UNK_10F70E.key | 2026-01-13 23:12 | 8.6K | |
| UNK_10F70E.lib | 2026-01-13 23:12 | 1.1K | |
| UNK_10F70E.lmp | 2026-01-13 23:12 | 7.5K | |
| UNK_10F70E.param | 2026-01-13 23:12 | 10K | |
| UNK_10F70E.pdb | 2026-01-13 23:12 | 1.0K | |
| UNK_10F70E.pqr | 2026-01-13 23:12 | 1.2K | |
| UNK_10F70E.prm | 2026-01-13 23:12 | 6.7K | |
| UNK_10F70E.rtf | 2026-01-13 23:12 | 1.1K | |
| UNK_10F70E.top | 2026-01-13 23:12 | 1.6K | |
| UNK_10F70E.xml | 2026-01-13 23:12 | 15K | |
| UNK_10F70E.xyz | 2026-01-13 23:12 | 957 | |
| UNK_10F70E.z | 2026-01-13 23:12 | 4.8K | |
| UNK_10F70E.zip | 2026-01-13 23:12 | 15K | |
| UNK_332D82.Q.prm | 2026-01-13 23:51 | 36K | |
| UNK_332D82.cms | 2026-01-13 23:51 | 90K | |
| UNK_332D82.gro | 2026-01-13 23:51 | 3.6K | |
| UNK_332D82.itp | 2026-01-13 23:51 | 47K | |
| UNK_332D82.key | 2026-01-13 23:51 | 46K | |
| UNK_332D82.lib | 2026-01-13 23:51 | 5.6K | |
| UNK_332D82.lmp | 2026-01-13 23:51 | 50K | |
| UNK_332D82.param | 2026-01-13 23:51 | 79K | |
| UNK_332D82.pdb | 2026-01-13 23:51 | 5.9K | |
| UNK_332D82.pqr | 2026-01-13 23:51 | 7.1K | |
| UNK_332D82.prm | 2026-01-13 23:51 | 51K | |
| UNK_332D82.rtf | 2026-01-13 23:51 | 5.9K | |
| UNK_332D82.top | 2026-01-13 23:51 | 7.7K | |
| UNK_332D82.xml | 2026-01-13 23:51 | 110K | |
| UNK_332D82.xyz | 2026-01-13 23:51 | 5.3K | |
| UNK_332D82.z | 2026-01-13 23:51 | 23K | |
| UNK_332D82.zip | 2026-01-13 23:51 | 77K | |
| UNK_63138E.Q.prm | 2026-01-13 23:35 | 5.8K | |
| UNK_63138E.cms | 2026-01-13 23:35 | 18K | |
| UNK_63138E.gro | 2026-01-13 23:35 | 921 | |
| UNK_63138E.itp | 2026-01-13 23:35 | 8.3K | |
| UNK_63138E.key | 2026-01-13 23:35 | 10K | |
| UNK_63138E.lib | 2026-01-13 23:35 | 1.4K | |
| UNK_63138E.lmp | 2026-01-13 23:35 | 9.3K | |
| UNK_63138E.param | 2026-01-13 23:35 | 12K | |
| UNK_63138E.pdb | 2026-01-13 23:35 | 1.4K | |
| UNK_63138E.pqr | 2026-01-13 23:35 | 1.7K | |
| UNK_63138E.prm | 2026-01-13 23:35 | 7.9K | |
| UNK_63138E.rtf | 2026-01-13 23:35 | 1.4K | |
| UNK_63138E.top | 2026-01-13 23:35 | 2.0K | |
| UNK_63138E.xml | 2026-01-13 23:35 | 19K | |
| UNK_63138E.xyz | 2026-01-13 23:35 | 1.3K | |
| UNK_63138E.z | 2026-01-13 23:35 | 4.8K | |
| UNK_63138E.zip | 2026-01-13 23:35 | 19K | |
| UNK_B6ED9C.Q.prm | 2026-01-13 23:03 | 28K | |
| UNK_B6ED9C.cms | 2026-01-13 23:03 | 80K | |
| UNK_B6ED9C.gro | 2026-01-13 23:03 | 3.4K | |
| UNK_B6ED9C.itp | 2026-01-13 23:03 | 40K | |
| UNK_B6ED9C.key | 2026-01-13 23:03 | 41K | |
| UNK_B6ED9C.lib | 2026-01-13 23:03 | 5.3K | |
| UNK_B6ED9C.lmp | 2026-01-13 23:03 | 44K | |
| UNK_B6ED9C.param | 2026-01-13 23:03 | 66K | |
| UNK_B6ED9C.pdb | 2026-01-13 23:03 | 5.6K | |
| UNK_B6ED9C.pqr | 2026-01-13 23:03 | 6.7K | |
| UNK_B6ED9C.prm | 2026-01-13 23:03 | 42K | |
| UNK_B6ED9C.rtf | 2026-01-13 23:03 | 5.6K | |
| UNK_B6ED9C.top | 2026-01-13 23:03 | 7.4K | |
| UNK_B6ED9C.xml | 2026-01-13 23:03 | 95K | |
| UNK_B6ED9C.xyz | 2026-01-13 23:03 | 5.0K | |
| UNK_B6ED9C.z | 2026-01-13 23:03 | 21K | |
| UNK_B6ED9C.zip | 2026-01-13 23:03 | 67K | |
| UNK_CC1EC2.Q.prm | 2026-01-13 23:35 | 5.8K | |
| UNK_CC1EC2.cms | 2026-01-13 23:35 | 18K | |
| UNK_CC1EC2.gro | 2026-01-13 23:35 | 921 | |
| UNK_CC1EC2.itp | 2026-01-13 23:35 | 8.3K | |
| UNK_CC1EC2.key | 2026-01-13 23:35 | 10K | |
| UNK_CC1EC2.lib | 2026-01-13 23:35 | 1.4K | |
| UNK_CC1EC2.lmp | 2026-01-13 23:35 | 9.3K | |
| UNK_CC1EC2.param | 2026-01-13 23:35 | 12K | |
| UNK_CC1EC2.pdb | 2026-01-13 23:35 | 1.4K | |
| UNK_CC1EC2.pqr | 2026-01-13 23:35 | 1.7K | |
| UNK_CC1EC2.prm | 2026-01-13 23:35 | 7.9K | |
| UNK_CC1EC2.rtf | 2026-01-13 23:35 | 1.4K | |
| UNK_CC1EC2.top | 2026-01-13 23:35 | 2.0K | |
| UNK_CC1EC2.xml | 2026-01-13 23:35 | 19K | |
| UNK_CC1EC2.xyz | 2026-01-13 23:35 | 1.3K | |
| UNK_CC1EC2.z | 2026-01-13 23:35 | 4.8K | |
| UNK_CC1EC2.zip | 2026-01-13 23:35 | 19K | |
| UNK_FAA7D3.Q.prm | 2026-01-13 23:26 | 5.8K | |
| UNK_FAA7D3.cms | 2026-01-13 23:26 | 18K | |
| UNK_FAA7D3.gro | 2026-01-13 23:26 | 921 | |
| UNK_FAA7D3.itp | 2026-01-13 23:26 | 8.3K | |
| UNK_FAA7D3.key | 2026-01-13 23:26 | 10K | |
| UNK_FAA7D3.lib | 2026-01-13 23:26 | 1.4K | |
| UNK_FAA7D3.lmp | 2026-01-13 23:26 | 9.3K | |
| UNK_FAA7D3.param | 2026-01-13 23:26 | 12K | |
| UNK_FAA7D3.pdb | 2026-01-13 23:26 | 1.4K | |
| UNK_FAA7D3.pqr | 2026-01-13 23:26 | 1.7K | |
| UNK_FAA7D3.prm | 2026-01-13 23:26 | 7.9K | |
| UNK_FAA7D3.rtf | 2026-01-13 23:26 | 1.4K | |
| UNK_FAA7D3.top | 2026-01-13 23:26 | 2.0K | |
| UNK_FAA7D3.xml | 2026-01-13 23:26 | 19K | |
| UNK_FAA7D3.xyz | 2026-01-13 23:26 | 1.3K | |
| UNK_FAA7D3.z | 2026-01-13 23:26 | 4.8K | |
| UNK_FAA7D3.zip | 2026-01-13 23:26 | 18K | |
| UNK_NO_LBCC.z | 2026-01-13 23:35 | 5.8K | |
| UNL.z | 2026-01-13 23:57 | 1.8K | |
| acetonitrile.smiles | 2026-01-10 23:18 | 20 | |
| best_Woodfordin-D.pd..> | 2026-01-13 23:28 | 16K | |
| celastrol.smi | 2026-01-12 00:22 | 91 | |
| clu.pdb | 2026-01-14 00:08 | 8.3K | |
| counter.txt | 2026-01-14 00:11 | 6 | |
| csoh.mol | 2026-01-14 00:09 | 339 | |
| csoh.pdb | 2026-01-14 00:09 | 354 | |
| delmeerr | 2026-01-14 00:09 | 154 | |
| delmestd | 2026-01-14 00:09 | 0 | |
| diamino2.mol | 2026-01-14 00:08 | 7.0K | |
| diamino2.pdb | 2026-01-14 00:08 | 7.6K | |
| errorServer.log | 2026-01-14 00:09 | 1.4K | |
| matplotlib-apache/ | 2025-10-30 23:39 | - | |
| mimo1.mol | 2026-01-13 23:53 | 13K | |
| mimo1.pdb | 2026-01-13 23:53 | 14K | |
| mimo2.mol | 2026-01-13 23:57 | 15K | |
| mimo2.pdb | 2026-01-13 23:57 | 16K | |
| nowtimetmp.txt | 2026-01-14 00:00 | 11 | |
| oeno.mol | 2026-01-13 23:20 | 20K | |
| oeno.pdb | 2026-01-13 23:28 | 6.7K | |
| oh.mol | 2026-01-14 00:06 | 245 | |
| oh.mol2 | 2026-01-13 23:57 | 275 | |
| oh.pdb | 2026-01-14 00:06 | 251 | |
| oldtmp.txt | 2026-01-14 00:00 | 11 | |
| otbu.mol | 2026-01-13 23:18 | 1.3K | |
| otbu.pdb | 2026-01-13 23:18 | 1.5K | |
| plotMolecule.cmd | 2026-01-14 00:09 | 268 | |
| project.pdb | 2026-01-13 23:11 | 8.7K | |
| wood.mol | 2026-01-13 23:20 | 31K | |
| wood.pdb | 2026-01-13 23:20 | 29K | |
| wood1.mol | 2026-01-13 23:40 | 23K | |
| wood1.pdb | 2026-01-13 23:39 | 25K | |
| wood2.mol | 2026-01-13 23:50 | 25K | |
| wood2.pdb | 2026-01-13 23:48 | 28K | |
| zipout.txt | 2026-01-14 00:08 | 674 | |