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lingyu zeng
2024-09-25 18:29:48 +08:00
parent 09fea665fc
commit 2b654ce581
1 changed files with 0 additions and 38 deletions
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38
script/S112D/Conformer3D_COMPOUND_CID_2733285.gro
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Conformer3D_COMPOUND_CID_2733285
35
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1MOL N 2 -1.066 0.319 -0.942
1MOL N 3 -1.349 0.194 -1.089
1MOL C 4 -0.707 0.366 -0.976
1MOL C 5 -0.661 0.237 -0.951
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1MOL C 7 -0.889 0.163 -0.919
1MOL C 8 -0.935 0.292 -0.945
1MOL C 9 -0.844 0.394 -0.973
1MOL C 10 -1.141 0.309 -1.056
1MOL C 11 -1.207 0.178 -1.092
1MOL C 12 -1.163 0.136 -1.232
1MOL C 13 -1.044 0.042 -1.222
1MOL C 14 -0.921 0.109 -1.282
1MOL C 15 -1.074 -0.087 -1.298
1MOL O 16 -0.454 0.307 -0.982
1MOL O 17 -0.496 0.091 -0.927
1MOL O 18 -1.154 0.405 -1.129
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1MOL H02 20 -0.717 0.034 -0.902
1MOL H03 21 -0.960 0.084 -0.897
1MOL H04 22 -0.879 0.495 -0.994
1MOL H05 23 -1.177 0.101 -1.020
1MOL H06 24 -1.135 0.224 -1.290
1MOL H07 25 -1.246 0.085 -1.282
1MOL H08 26 -1.025 0.018 -1.118
1MOL H09 27 -0.837 0.039 -1.280
1MOL H10 28 -0.942 0.137 -1.385
1MOL H11 29 -0.896 0.198 -1.224
1MOL H12 30 -1.162 -0.071 -1.362
1MOL H13 31 -0.989 -0.113 -1.361
1MOL H14 32 -1.094 -0.167 -1.228
1MOL H 33 -1.111 0.347 -0.855
1MOL H 34 -1.377 0.233 -0.999
1MOL H 35 -1.377 0.264 -1.158
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