Pocket-Gen / tmp /1lig.pdbqt
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1
20f7859
REMARK Flexibility Score: inf
REMARK Active torsions [ 5 ] -> [ 5 ]
ROOT
ATOM 1 N1 LIG L 1 7.505 45.120 64.119 1.00 0.00 -0.227 N
ATOM 2 O1 LIG L 1 6.849 44.915 62.678 1.00 0.00 -0.268 OA
ATOM 3 N2 LIG L 1 6.148 43.524 62.018 1.00 0.00 -0.266 N
ATOM 4 N3 LIG L 1 6.823 45.448 64.467 1.00 0.00 -0.161 NA
ATOM 5 C1 LIG L 1 6.569 44.439 62.750 1.00 0.00 0.270 C
ATOM 6 C2 LIG L 1 6.200 45.294 64.006 1.00 0.00 0.151 A
ATOM 7 C3 LIG L 1 6.241 44.786 63.291 1.00 0.00 0.017 A
ATOM 8 C4 LIG L 1 6.917 44.800 63.428 1.00 0.00 0.133 A
ATOM 9 C5 LIG L 1 5.621 44.331 62.543 1.00 0.00 0.059 C
ATOM 10 C6 LIG L 1 5.854 43.340 62.268 1.00 0.00 0.119 C
ENDROOT
BRANCH 1 11
ATOM 11 C7 LIG L 1 8.349 45.370 64.706 1.00 0.00 0.066 A
ATOM 12 C8 LIG L 1 10.459 45.407 65.604 1.00 0.00 0.120 A
ATOM 13 C9 LIG L 1 10.179 46.308 64.759 1.00 0.00 0.048 A
ATOM 14 C10 LIG L 1 9.744 44.634 65.900 1.00 0.00 0.048 A
ATOM 15 C11 LIG L 1 9.140 46.218 64.383 1.00 0.00 0.031 A
ATOM 16 C12 LIG L 1 8.723 44.743 65.405 1.00 0.00 0.031 A
BRANCH 12 17
ATOM 17 O2 LIG L 1 11.486 45.287 65.728 1.00 0.00 -0.495 OA
ATOM 18 C13 LIG L 1 12.056 44.537 66.266 1.00 0.00 0.277 C
ENDBRANCH 12 17
ENDBRANCH 1 11
BRANCH 6 19
ATOM 19 C14 LIG L 1 5.009 45.823 64.411 1.00 0.00 0.262 C
ATOM 20 O3 LIG L 1 4.130 45.959 63.920 1.00 0.00 -0.269 OA
ATOM 21 N4 LIG L 1 4.901 46.175 65.316 1.00 0.00 -0.324 N
ATOM 22 H1 LIG L 1 4.037 46.554 65.597 1.00 0.00 0.145 HD
ATOM 23 H2 LIG L 1 5.656 46.151 65.948 1.00 0.00 0.145 HD
ENDBRANCH 6 19
BRANCH 3 24
ATOM 24 C15 LIG L 1 6.043 42.697 60.919 1.00 0.00 0.037 A
ATOM 25 C16 LIG L 1 6.154 41.351 61.189 1.00 0.00 0.025 A
ATOM 26 C17 LIG L 1 6.407 43.150 59.542 1.00 0.00 0.025 A
ATOM 27 C18 LIG L 1 6.640 40.385 60.248 1.00 0.00 0.025 A
ATOM 28 C19 LIG L 1 6.990 42.023 58.433 1.00 0.00 0.025 A
ATOM 29 C20 LIG L 1 7.070 40.635 58.939 1.00 0.00 0.036 A
BRANCH 29 30
ATOM 30 N5 LIG L 1 7.828 39.951 58.472 1.00 0.00 -0.271 N
ATOM 31 C21 LIG L 1 7.722 39.878 57.989 1.00 0.00 0.220 C
ATOM 32 C22 LIG L 1 8.944 39.168 58.212 1.00 0.00 0.113 C
ATOM 33 O4 LIG L 1 7.041 40.293 58.102 1.00 0.00 -0.275 OA
ATOM 34 C23 LIG L 1 8.236 39.017 57.206 1.00 0.00 0.096 C
ATOM 35 C24 LIG L 1 9.707 38.742 58.142 1.00 0.00 0.020 C
ATOM 36 C25 LIG L 1 9.370 38.960 57.099 1.00 0.00 0.011 C
ENDBRANCH 29 30
ENDBRANCH 3 24
TORSDOF 5