| Path |
Digest |
Size |
| AaronTools/.gitignore |
sha256=09G5qoITOlaemA98rKtXJe0hKXm3u-IZS6JJgtF0QZ0
|
197 |
| AaronTools/LICENSE |
sha256=IwGE9guuL-ryRPEKi6wFPI_zOhg7zDZbTYuHbSt_SAk
|
35823 |
| AaronTools/README.md |
sha256=4o2bdT2FPSdukmd_gt9SGW2b_djiIxUN3Q4eSL566ZY
|
7257 |
| AaronTools/__init__.py |
sha256=Xgz3OXIKzqZVbGQxuOmBP0fGYFEbuCaj2EhfgwYV-R8
|
9419 |
| AaronTools/atoms.py |
sha256=aeBWMBSbRtF_0UGxjy_Rwq_adfzww5UHnMIr8Ldu42Q
|
44802 |
| AaronTools/calculated_bond_lengths.json |
sha256=mvdtOzkHfBC8biFAAuYs_0cfjATGqri15Vi37Qr8Bok
|
405624 |
| AaronTools/comp_output.py |
sha256=czeRduYOdRcSZiAtjkxeRkzxB4xjK1jD87m_Tvm0Hwc
|
20581 |
| AaronTools/component.py |
sha256=2Q3DB08X3iOdrTIZYlNQK_XdxEvEOJxBd3sr6E7hHDc
|
38558 |
| AaronTools/config.ini |
sha256=kynElOXFAz2G6zhVzQ2MBIQUVjvrF7rLaxfZ1Gl8-Pk
|
614 |
| AaronTools/config.py |
sha256=qWMWScthOYskH0bRTE-V0yKHG14ePwA6tpPMgI7HES4
|
48231 |
| AaronTools/const.py |
sha256=9LALEm9kCs8fKCh3yziOpv77IJ8s3TwNK0OUhgRXtys
|
58027 |
| AaronTools/fileIO.py |
sha256=Yeytc57AWwZcnEzMSbp602U5pNRDgRvfLtXW_fAc-BA
|
219321 |
| AaronTools/finders.py |
sha256=FpBw0bJlBMjdmiMAAx9Y-dletexeiIrpFQEnxfRhCiQ
|
40955 |
| AaronTools/geometry.py |
sha256=os_fGcfpoDcYmCLvogJnAkm2SoCOkgkhsNygENpjXYc
|
264025 |
| AaronTools/job_control.py |
sha256=Efkxu1QDuB4XGcg6w7RRdywgoJQ4qUl4rekW193jMWk
|
11090 |
| AaronTools/json_extension.py |
sha256=7kMNRd6z_LYsN0qUA_C-L7LRgL1nfFOT7pBh26QXR2U
|
15571 |
| AaronTools/new_fileIO.py |
sha256=zFm4hkBzOwvwCR4y1ZxCTxjsnF3vtQTEq9Umb8FbijI
|
7875 |
| AaronTools/oniomatoms.py |
sha256=AhVve6N9sbx9rLqgODfPSqStS6EhacqMY9LBg4nZ_iE
|
6815 |
| AaronTools/orbitals.py |
sha256=YxXzpuL7JpF7TMaHZuCxdUhIEIhhwg4QiZMxxLOSd8Y
|
108355 |
| AaronTools/pathway.py |
sha256=yCFZq1S81ybgdB3ohQUSDcTseAPIIPl9wMFUHxtdjsg
|
5637 |
| AaronTools/ring.py |
sha256=4-2Dm_PculK3cscp3R4MURLpKyW3phi7G1V7fIFQjts
|
7335 |
| AaronTools/spectra.py |
sha256=SmWL515CjwwCk9d-QkgWHiDAjdwbofnr3dXVX1vpZOI
|
75229 |
| AaronTools/substituent.py |
sha256=mOl9vtWCE0tpYiE0QHlJFWxZf22QM5b41cztNOxYsAA
|
23836 |
| AaronTools/symmetry.py |
sha256=MYK6ZvOc7AeMwFvM_LgoSYsZOnGlBpx4gXcGpvG2QGs
|
58184 |
| AaronTools/AaronTools.egg-info/PKG-INFO |
sha256=vgjl4g8P4uO_fvU9vOxBoV_-tkZGq2A9FQStHVDII8U
|
8365 |
| AaronTools/AaronTools.egg-info/SOURCES.txt |
sha256=lMQz8LgS3F4YPuTLryE4tAk2NdjNSbaRqC64FN5bDB0
|
62946 |
| AaronTools/AaronTools.egg-info/dependency_links.txt |
sha256=AbpHGcgLb-kRsJGnwFEktk7uzpZOCcBY74-YBdrKVGs
|
1 |
| AaronTools/AaronTools.egg-info/requires.txt |
sha256=igb1fIYyzMjMJszpWNyfe78th2Ujf040l5JXpNuZX8I
|
49 |
| AaronTools/AaronTools.egg-info/top_level.txt |
sha256=L-BvzSmpPzuyQCq_u9SmDmwyXQ_t_qCHAdX8aR1eVO0
|
11 |
| AaronTools/Ligands/ACN.xyz |
sha256=P4BLIJAjCgjbgL6nQzMiz8E5DlQ1CDGBifrkcKPGqmY
|
280 |
| AaronTools/Ligands/AcAc.xyz |
sha256=3G33NjHGLTKW24hFHxFWYW9LkwsXUJiAexjVvNdpCsg
|
643 |
| AaronTools/Ligands/Ad-HC5C.xyz |
sha256=ksvURGPSLsRPBSITNPaf3EH6LDCrfKaF2heGiqfkPJI
|
2405 |
| AaronTools/Ligands/BDA.xyz |
sha256=q26FF90RNoGc4q0rESHcLBRS82TUAVNLXlwf4-e19qw
|
1097 |
| AaronTools/Ligands/BPE.xyz |
sha256=-9tqPj_aVZD6-aANRi9MZ5ee81WlSp17E9PCo83ip0w
|
1453 |
| AaronTools/Ligands/BPY.xyz |
sha256=w92p12SPdL-kQ0-InA_3TTwS5Hb8uExE3qqRSwaxSYE
|
914 |
| AaronTools/Ligands/BenQuin.xyz |
sha256=ernzV2BcJNPB3X7wzPsFSYubzI3fbQz983uByhIfwS8
|
1004 |
| AaronTools/Ligands/BiOX.xyz |
sha256=nF4dAwe59Xavqs6XutsbuZhA4Wl-ZPeuvrdvvL2MFm0
|
842 |
| AaronTools/Ligands/BiOx_Me.xyz |
sha256=NGaG4kKigr_Oxn8vXF0hJOQATeZYcLPT0bXZm8tdoqE
|
1262 |
| AaronTools/Ligands/CO.xyz |
sha256=yavyXUoUz_lgn40ZHHf745ZHnceLR1LhtwaklDTM67k
|
100 |
| AaronTools/Ligands/COD.xyz |
sha256=R00QFQJmkE4IfabbOMXmPEdrUk0jw4FdhXDXvL5fbMg
|
919 |
| AaronTools/Ligands/Cp.xyz |
sha256=u9E7uC0Q9EZgHxJCcycKY75f94szmJkVB_YHSeU7BPM
|
467 |
| AaronTools/Ligands/Cp_star.xyz |
sha256=urY3yRmEiVs6FLuPSoPr0gXX7FyKGh5F-vSISv5bWoI
|
1144 |
| AaronTools/Ligands/DMBPY.xyz |
sha256=NhpEA_MnGYP7Y5LX5crITX3EMZSHjti37CCOkBVQcw0
|
1184 |
| AaronTools/Ligands/DMP.xyz |
sha256=jPQZGvGNQTIrtZtgEFZT5SBvI327bv_AqoFs8e3AqMI
|
1273 |
| AaronTools/Ligands/DMPE.xyz |
sha256=lngEws5dvWkyke_Vygnbgs4cPh9LrOM_gNNmdA1-XO0
|
1093 |
| AaronTools/Ligands/DPEphos.xyz |
sha256=yh8qWT1xs0l8clrgu6p0ycBNsfP38OljX5Vwq1yMmF4
|
3030 |
| AaronTools/Ligands/DPPE.xyz |
sha256=J39J9Vgh8EtNIskOm5EPhGMTpG1VYnIFNF7QloMlv8o
|
2353 |
| AaronTools/Ligands/DPPF.xyz |
sha256=jcjZWLS6dVjBqW2eTOl8w8Mcorj8Gq9bDA0gA1EgY5Y
|
2938 |
| AaronTools/Ligands/DPPP.xyz |
sha256=43qHBaRphck4P1pVvRSFG_Jp16dhD37RK6QxQ8kxQ9c
|
2488 |
| AaronTools/Ligands/EDA.xyz |
sha256=ZcjkrWGfXMH79xAk-_vyzBumT9Dd4G7_abN2-VhEsJI
|
554 |
| AaronTools/Ligands/IMes.xyz |
sha256=8yl9_Fw7wvuKaPG_Kg5L1WawH4e4L3KcDSkJvVeYzUk
|
2126 |
| AaronTools/Ligands/JoshPhos.xyz |
sha256=l4OmgMmtdQu1a4cg-VDB0RzJi13c84NNzVhHtRM3X1c
|
2040 |
| AaronTools/Ligands/KASBAI.xyz |
sha256=YWlNWFwMT4fapGLnf-tMD22cmiGlMKe0ehIA0UQWzJM
|
3701 |
| AaronTools/Ligands/Mes-NC5C.xyz |
sha256=ReMJoxoPAcP-VW55wEsuyhj-fN-TKw20xqDcKwaTeJ8
|
1630 |
| AaronTools/Ligands/Milstein.xyz |
sha256=B04Ta7rvJoUfNgkaO2MeThHA_bvp27lClMoC_BX0EkU
|
2221 |
| AaronTools/Ligands/NBD.xyz |
sha256=U_mfmHlau4RmOctGXL3-Dor-rzplz4xoUIT6dCOLISQ
|
692 |
| AaronTools/Ligands/PHNNP.xyz |
sha256=YsGPX6B8P3nBa4t5d40lvHauCp3VQ9Ya_q2llymcRec
|
1100 |
| AaronTools/Ligands/PIN.xyz |
sha256=hSr121Hq4CBf380nFvUMyHsAwkhVr31dxMYYuaF63Sc
|
913 |
| AaronTools/Ligands/PPh3.xyz |
sha256=WjvBIGLLEstzgoNpkFQnGa0umHnzAnJWNyOvcp7g3yo
|
1575 |
| AaronTools/Ligands/Paton_DL.xyz |
sha256=xmJCol35hYbwbd7STom6a_89OM0lmScvQejy1Z7z4qM
|
1898 |
| AaronTools/Ligands/Paton_EL.xyz |
sha256=5XxJqtKApmNmYHzQkN9Haw1MACXR0kkprbWBG_PPxec
|
1946 |
| AaronTools/Ligands/PhBP3.xyz |
sha256=O3P7zGbn240-6YwkHfbiUErIg3KQ3UA2c69RdqTCPEE
|
4065 |
| AaronTools/Ligands/PymdOx.xyz |
sha256=bAgJgrs0BDDRQ-zfRASVMKCIzswK7Mxcn3DnbXkNzT8
|
984 |
| AaronTools/Ligands/PyrOx.xyz |
sha256=Ju6j6wgwYY54VAwb7QvZaIvrZYEwpmUW27k2ZUw-NLg
|
888 |
| AaronTools/Ligands/R-BINAP.xyz |
sha256=ZxjamjrTd-YriXRCEP8P-0ioSx2lWtrJQiqaHFrOjDk
|
3525 |
| AaronTools/Ligands/R-Me-StackPhos.xyz |
sha256=RqcnZx1bOb0-H7Tzu0lZqLuxW7LuD_3k17AGrH74yFE
|
3973 |
| AaronTools/Ligands/R-Ph-BOX.xyz |
sha256=1JkJhH2hQg7FHumEhupx3fI_CW4llT7T1tZpAsAH-lE
|
2128 |
| AaronTools/Ligands/R-Ph-Mes-NC5C.xyz |
sha256=3wJ2BjsQUqZVci6FeazGiq4RZvUPPbL6w_o2fWNJkek
|
3386 |
| AaronTools/Ligands/R-Quinox-AdtBu2.xyz |
sha256=9VyQ5YqFnZd9FhzUbwruUFh2M8EVKvJqT92H8QHKkLg
|
2995 |
| AaronTools/Ligands/R-Quinox-tBu3.xyz |
sha256=pOWQlqNpm51XHkqhcA9n3XLiekoxAq7eG2ueU-Iz284
|
2668 |
| AaronTools/Ligands/R-SEGPHOS.xyz |
sha256=xPfJ8EC77HtuvQaH_Q6FHUjYiSFBsyGri68tE472a9M
|
4260 |
| AaronTools/Ligands/R-StackPhos.xyz |
sha256=8_auFGBB-aWSan3o6Xq39pYsJJ0sVqZj3E84YeFkALg
|
4814 |
| AaronTools/Ligands/R-iPr-PyBOX.xyz |
sha256=y7jr4iEbX75-3IpgsDog-6_QjkXTf4ltTpfuFyqJCok
|
2042 |
| AaronTools/Ligands/R-pFPh-StackPhos.xyz |
sha256=z0dGyIMAAggTfTVFNAVGEB7aab4E8jZ7rvVo1bY8HVg
|
4813 |
| AaronTools/Ligands/R-tBu-BOX.xyz |
sha256=y2BZNyWJRLR2I6mxgoYxtvRvWOSVmEfo4f06z1BRIdI
|
2308 |
| AaronTools/Ligands/RR-BDPP.xyz |
sha256=mejFhsNohE76hG5wfnVdPt6cVl3E3P9MlxPcP9F35nY
|
2758 |
| AaronTools/Ligands/RR-BPCp.xyz |
sha256=odXufG9KajyFpzf8cTNQk2Ax2MmmtnSfWsFFNS3LuqA
|
2308 |
| AaronTools/Ligands/RR-Et-DuPhos.xyz |
sha256=EaZ6M55C01i3OWAU7LatmVXvtKGL8hLmaraxWlSJukE
|
2713 |
| AaronTools/Ligands/RR-Me-BPE.xyz |
sha256=tCghW_gUpsMxRGWOp9VGZ8Jx9thlIUemIBpyyf7MYjA
|
1993 |
| AaronTools/Ligands/RR-Me-DuPhos.xyz |
sha256=nROIUrBj4FWNmBuFJl5Xrnlf5_2DNgxMDaxEJMsWMzU
|
2173 |
| AaronTools/Ligands/RR-Me-TBF.xyz |
sha256=UZp2Si_HoNTPdTKpKxV06h87uaLeWj_DvHBjleql2nA
|
1278 |
| AaronTools/Ligands/RR-Me-iPrPh-NC5C.xyz |
sha256=oEnBvAeLkypP6gPWcMT9wxSxJ-nHx4_fAwmvBZLD9QE
|
3296 |
| AaronTools/Ligands/RR-QuinoxP.xyz |
sha256=jQEvTNSIw6sizX0vg_SA3F1qs5QCFqDWl4jWqWT04YA
|
2262 |
| AaronTools/Ligands/RR-iPr-DuPhos.xyz |
sha256=SuBxbDfVwcfZvNYMjoNcR4L1lrcDNCBXdd6_MKa36W0
|
3253 |
| AaronTools/Ligands/RR-norphos.xyz |
sha256=X6SbYEmb-apO-nxDOZ2SNqRl86l76BUz50ew7bjldEk
|
2758 |
| AaronTools/Ligands/RRSS-DuanPhos.xyz |
sha256=oT1JXWQX4gA6dWljOUQttuPMZlxIG-Xjxqq1zz4Huv4
|
2623 |
| AaronTools/Ligands/R_temp.xyz |
sha256=0KBvVExbyNDv7gQGxclGqLLt9e1PnJQDwf_xfl8KHak
|
5094 |
| AaronTools/Ligands/S-BINAP.xyz |
sha256=vDfEEmCTwcGg2_0htprdXytOj5Q2tOyIgjrvLMd3H_A
|
3525 |
| AaronTools/Ligands/S-Me-StackPhos.xyz |
sha256=IrQ8isTTUTxEGyp9QZUxJptmA2x3mgbtu3l15MCbh-g
|
2983 |
| AaronTools/Ligands/S-Ph-BOX.xyz |
sha256=LWTkzHDknh_XIP0ptj-N9SagL-7bGFTt1PxQtACC8Sg
|
2128 |
| AaronTools/Ligands/S-Ph-Mes-NC5C.xyz |
sha256=MfnjPnDCHUWeZvN6-vnATxeBG8JmkJZ_kpOWpihHIxM
|
3386 |
| AaronTools/Ligands/S-Quinox-AdtBu2.xyz |
sha256=gkJKsKvsSRtyg7R7b5Kng4HC1uOosQ-Bmflk5pAOy8U
|
3208 |
| AaronTools/Ligands/S-Quinox-tBu3.xyz |
sha256=IuFjc5Rl3J_4RYUwkDrtSsW2TLUC8vRnPSeTHb1343U
|
2668 |
| AaronTools/Ligands/S-SEGPHOS.xyz |
sha256=8onqHpNmB6csY0llK4gkb-LZj--ssysHMZCul5EvAJI
|
3252 |
| AaronTools/Ligands/S-StackPhos.xyz |
sha256=hbRfsiUXc06rlFWein8TRUngH7x27sEf_-yHS0AXn0Y
|
3614 |
| AaronTools/Ligands/S-iPr-PyBOX.xyz |
sha256=vtCsAWCxU3eP_a2josReYYD4wmlanJsAmvIKabWZMTU
|
2042 |
| AaronTools/Ligands/S-pFPh-StackPhos.xyz |
sha256=rZ49WDxCUc6ejdXVQbCa1hwQRFol1-BSnyWxBBQY2D8
|
3613 |
| AaronTools/Ligands/S-tBu-BOX.xyz |
sha256=VW9AxqdUxmW_agLlq3Tpaz5K23WSG3PIk_VP_LSf78w
|
2308 |
| AaronTools/Ligands/SL-J212-1.xyz |
sha256=kS6MzVBQshy4GmsZlWd88nVMO8XuWydlrqVS3aggMg4
|
2166 |
| AaronTools/Ligands/SL-J212-2.xyz |
sha256=8mwyWCA_cBm9Jw9kbFYViPV7D77nTM_Hj5MqdFc2ypo
|
3118 |
| AaronTools/Ligands/SS-BDPP.xyz |
sha256=f4yTCsDbUsEets6lPrRIEcvHKFT1ESVk3WZZCMOK3XI
|
2758 |
| AaronTools/Ligands/SS-BPCp.xyz |
sha256=Qk5sXVCtyyUL7OIJxywBF9G-2w8pz2Sm6WhdDW8aOvA
|
2308 |
| AaronTools/Ligands/SS-Et-DuPhos.xyz |
sha256=E15e6d4WnfAWiJh4UXLZS4-50XF5WztUhGd1iww5cXM
|
2713 |
| AaronTools/Ligands/SS-Me-BPE.xyz |
sha256=tBB6STpWnljPxPieuB7AFkqUnO8rrBnX0zUTfxoPRO4
|
1993 |
| AaronTools/Ligands/SS-Me-DuPhos.xyz |
sha256=Tfd1jL1bplyNS1pCjb6BXpKoUhQQmO7KAj6Pl_mW1rc
|
2173 |
| AaronTools/Ligands/SS-Me-TBF.xyz |
sha256=5gK6qMr-fjUGveRi5LVDfrGY9PMzjYCrUbEakHpVDc0
|
1278 |
| AaronTools/Ligands/SS-Me-iPrPh-NC5C.xyz |
sha256=UJjNSRwHVuy-VYmf2qQyIBve0fTpJplFAKOxo6k_PDc
|
3296 |
| AaronTools/Ligands/SS-QuinoxP.xyz |
sha256=iTCby7XgLRNSJ8pYBBa8jtC6F0C8XBU0a_8XDdnVKlY
|
2262 |
| AaronTools/Ligands/SS-iPr-DuPhos.xyz |
sha256=nI9vbLN82bIjdD_H3mrGIuBPCJ-i8FPETYZhWkIz_T0
|
3253 |
| AaronTools/Ligands/SS-norphos.xyz |
sha256=VKzDHjpHXMj1sQ3MaqF66RK_VH5lD-yB96om-WAGMDA
|
2758 |
| AaronTools/Ligands/SSRR-DuanPhos.xyz |
sha256=bJp6Ig2483r7e6h1EKDqtZ075Nk1rOHiL1MhIuSBSnk
|
2623 |
| AaronTools/Ligands/TACN.xyz |
sha256=Dyxfgl993V0gnsXHvQvlXyNo_-1FfPgu17ZvrHhOIW0
|
1095 |
| AaronTools/Ligands/TACN_star.xyz |
sha256=T36QK9z4fQyaiAeIhR9jSYLsNiPD8EqRu5QXBAONCPI
|
1106 |
| AaronTools/Ligands/Tp.xyz |
sha256=evHX2t870aeaS8xQByyewDjjnOPuF65hhe2nUxAkKio
|
1345 |
| AaronTools/Ligands/Xantphos.xyz |
sha256=2oIyd-ghTU7L-4F643zx7u1rQ9vzBI6jt3M3OSZqDCE
|
3345 |
| AaronTools/Ligands/Xphos.xyz |
sha256=NtbT0OCVARme9U4DA3VbWODruXTwL516RvKUYugPi3w
|
3746 |
| AaronTools/Ligands/achiral_ligands |
sha256=qtiLdmWL0GXX0tzyynFEQUvnRq8T-CI83UatvN-e8Uw
|
2143 |
| AaronTools/Ligands/bi-isoquinoline-NN-dioxide.xyz |
sha256=kxlQRYgcOToUjqJVj4_-OeDNyeWwJwCDHy4z-gDFrpo
|
1745 |
| AaronTools/Ligands/chiral_ligands |
sha256=KefGMuOqIfzDD54TE-L4XpaLZ7FNODAAbwkxp1BZ6t4
|
3059 |
| AaronTools/Ligands/dithiolate-4F.xyz |
sha256=G6Tc79qitgF0dU7bQ2yM5KAjMEdqqCqpOi9cJyEL5GU
|
1839 |
| AaronTools/Ligands/iPr-NC3C.xyz |
sha256=Z1a7XfDq5XLv2TDZ71Vw2N8pTi3wTxWiF9K2e44aqYI
|
2036 |
| AaronTools/Ligands/iPr-PNPEt.xyz |
sha256=PH9s13yPYjTPSYDsLHJNjKHWHOORQCGmDl5KMBjqWJA
|
2535 |
| AaronTools/Ligands/iPrPh-BIP.xyz |
sha256=Y8cJSMsoPoybcam8nH_nPLSE7CBSUi-ECrpseyAgtSg
|
3572 |
| AaronTools/Ligands/iPrPh-NC5C.xyz |
sha256=aT8sTZcoStG23gBQZ1WHqT_4gkzmhLcRfM4cbYBCcBU
|
3026 |
| AaronTools/Ligands/organocatalysts |
sha256=a7AiaFHitMp6F6LDlEgezd-jgHIxqUgQgcfYCvvg-ZY
|
56 |
| AaronTools/Ligands/squaramide-iPr.xyz |
sha256=_5mt3joCujrsLw-drHKi4It5xzx74q31FyBWMK9r5iw
|
3613 |
| AaronTools/Ligands/squaramide.xyz |
sha256=3g1oZzxwkloCTWw99S4OeFPBD_0bKeB2Al6i0pUah8I
|
3082 |
| AaronTools/Ligands/tBu-PCP.xyz |
sha256=JqW5e0mnjNKqUDkPM4JLBAFlFPDc0JB-S-esOu9eq8U
|
3120 |
| AaronTools/Ligands/tBu-PNPPyr.xyz |
sha256=N3UJDiuVYQgYkANBzHPgwRiqh3TKnIm2_IkCTM7ztWE
|
3255 |
| AaronTools/Rings/benzene.xyz |
sha256=gxsnzE_5MlT02RfGxzQZoCaeKIaONXrjFYZrWgnByK4
|
609 |
| AaronTools/Rings/cyclohexane.1.xyz |
sha256=ovD8O0-9wT16uCM0Oq7QQZ6naBuAoXXpauoD3we-uZo
|
911 |
| AaronTools/Rings/cyclohexane.xyz |
sha256=Yr600b-oQ3FBOPvt3V7jA9uwozvCNHqJd8kXUv4e6kU
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7713 |
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10103 |
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11993 |
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sha256=OaPR1h_PLmr0HOI-PrcmY4M6chOuXPFWQcOhbQ7cncU
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5759 |
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4109 |
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sha256=diRgqTb7tp4yOWpmUrcSLdOJi15HYFZrBrtnBWqBucY
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3608 |
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5734 |
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8544 |
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— |
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