Pocket-Gen / tmp /2lig.pdbqt
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REMARK Flexibility Score: inf
REMARK Active torsions [ 5 ] -> [ 5 ]
ROOT
ATOM 1 N1 LIG L 1 7.093 45.333 64.279 1.00 0.00 -0.227 N
ATOM 2 O1 LIG L 1 6.414 44.967 62.561 1.00 0.00 -0.268 OA
ATOM 3 N2 LIG L 1 6.003 43.478 61.898 1.00 0.00 -0.266 N
ATOM 4 N3 LIG L 1 6.905 45.394 64.365 1.00 0.00 -0.161 NA
ATOM 5 C1 LIG L 1 6.221 44.474 62.681 1.00 0.00 0.270 C
ATOM 6 C2 LIG L 1 6.163 45.330 63.993 1.00 0.00 0.151 A
ATOM 7 C3 LIG L 1 6.250 44.787 63.239 1.00 0.00 0.017 A
ATOM 8 C4 LIG L 1 6.543 44.932 63.482 1.00 0.00 0.133 A
ATOM 9 C5 LIG L 1 5.536 44.348 62.502 1.00 0.00 0.059 C
ATOM 10 C6 LIG L 1 5.821 43.328 62.203 1.00 0.00 0.119 C
ENDROOT
BRANCH 1 11
ATOM 11 C7 LIG L 1 7.905 45.700 65.067 1.00 0.00 0.066 A
ATOM 12 C8 LIG L 1 10.322 45.873 66.325 1.00 0.00 0.120 A
ATOM 13 C9 LIG L 1 9.994 46.948 65.274 1.00 0.00 0.048 A
ATOM 14 C10 LIG L 1 9.489 44.893 66.588 1.00 0.00 0.048 A
ATOM 15 C11 LIG L 1 8.774 46.759 64.761 1.00 0.00 0.031 A
ATOM 16 C12 LIG L 1 8.324 44.979 65.910 1.00 0.00 0.031 A
BRANCH 12 17
ATOM 17 O2 LIG L 1 11.587 45.719 66.463 1.00 0.00 -0.495 OA
ATOM 18 C13 LIG L 1 12.239 44.727 66.854 1.00 0.00 0.277 C
ENDBRANCH 12 17
ENDBRANCH 1 11
BRANCH 6 19
ATOM 19 C14 LIG L 1 5.040 45.828 64.369 1.00 0.00 0.262 C
ATOM 20 O3 LIG L 1 4.201 45.949 63.872 1.00 0.00 -0.269 OA
ATOM 21 N4 LIG L 1 4.887 46.200 65.291 1.00 0.00 -0.324 N
ATOM 22 H1 LIG L 1 4.008 46.571 65.533 1.00 0.00 0.145 HD
ATOM 23 H2 LIG L 1 5.617 46.193 65.951 1.00 0.00 0.145 HD
ENDBRANCH 6 19
BRANCH 3 24
ATOM 24 C15 LIG L 1 6.141 42.602 60.785 1.00 0.00 0.037 A
ATOM 25 C16 LIG L 1 6.326 41.341 61.111 1.00 0.00 0.025 A
ATOM 26 C17 LIG L 1 6.656 43.020 59.458 1.00 0.00 0.025 A
ATOM 27 C18 LIG L 1 6.987 40.479 60.229 1.00 0.00 0.025 A
ATOM 28 C19 LIG L 1 7.445 41.985 58.553 1.00 0.00 0.025 A
ATOM 29 C20 LIG L 1 7.545 40.765 59.063 1.00 0.00 0.036 A
BRANCH 29 30
ATOM 30 N5 LIG L 1 8.269 40.244 58.713 1.00 0.00 -0.271 N
ATOM 31 C21 LIG L 1 7.854 39.928 58.002 1.00 0.00 0.220 C
ATOM 32 C22 LIG L 1 9.327 39.650 58.586 1.00 0.00 0.113 C
ATOM 33 O4 LIG L 1 7.082 40.292 58.050 1.00 0.00 -0.275 OA
ATOM 34 C23 LIG L 1 8.332 39.106 57.245 1.00 0.00 0.096 C
ATOM 35 C24 LIG L 1 9.827 38.903 58.224 1.00 0.00 0.020 C
ATOM 36 C25 LIG L 1 9.455 39.057 57.157 1.00 0.00 0.011 C
ENDBRANCH 29 30
ENDBRANCH 3 24
TORSDOF 5