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ligand.pdbqt
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REMARK 2 active torsions:
REMARK status: ('A' for Active; 'I' for Inactive)
REMARK 1 A between atoms: C_1 and C_12
REMARK I between atoms: C_12 and N_13
REMARK 2 A between atoms: N_16 and C_19
ROOT
ATOM 1 C LIG d 1 1.563 -1.725 0.000 0.00 0.00 0.288 C
ATOM 2 N LIG d 1 0.558 -1.725 0.000 0.00 0.00 -0.267 N
ATOM 3 C LIG d 1 0.071 -2.604 0.000 0.00 0.00 0.102 A
ATOM 4 C LIG d 1 -0.950 -2.604 0.000 0.00 0.00 0.100 A
ATOM 5 N LIG d 1 -1.479 -1.758 0.000 0.00 0.00 -0.301 N
ATOM 6 C LIG d 1 -0.983 -0.896 0.000 0.00 0.00 0.100 A
ATOM 7 C LIG d 1 0.029 -0.871 0.000 0.00 0.00 0.102 A
ATOM 8 O LIG d 1 2.079 -2.588 0.000 0.00 0.00 -0.264 OA
ENDROOT
BRANCH 1 9
ATOM 9 C LIG d 1 2.038 -0.863 0.000 0.00 0.00 0.160 A
ATOM 10 O LIG d 1 3.038 -0.838 0.000 0.00 0.00 -0.268 OA
ATOM 11 C LIG d 1 3.508 0.038 0.000 0.00 0.00 0.300 A
ATOM 12 C LIG d 1 2.950 0.900 0.000 0.00 0.00 0.064 A
ATOM 13 O LIG d 1 4.513 0.108 0.000 0.00 0.00 -0.259 OA
ATOM 14 C LIG d 1 1.983 0.846 0.000 0.00 0.00 0.007 A
ATOM 15 C LIG d 1 3.396 1.779 0.000 0.00 0.00 0.005 A
ATOM 16 C LIG d 1 1.525 -0.042 0.000 0.00 0.00 0.030 A
ATOM 17 C LIG d 1 1.454 1.692 0.000 0.00 0.00 0.000 A
ATOM 18 C LIG d 1 1.883 2.583 0.000 0.00 0.00 0.000 A
ATOM 19 C LIG d 1 2.900 2.613 0.000 0.00 0.00 0.000 A
ENDBRANCH 1 9
BRANCH 5 20
ATOM 20 C LIG d 1 -2.475 -1.758 0.000 0.00 0.00 0.064 A
ATOM 21 C LIG d 1 -2.988 -2.608 0.000 0.00 0.00 0.018 A
ATOM 22 C LIG d 1 -4.004 -2.604 0.000 0.00 0.00 0.002 A
ATOM 23 C LIG d 1 -4.517 -1.725 0.000 0.00 0.00 0.000 A
ATOM 24 C LIG d 1 -3.996 -0.871 0.000 0.00 0.00 0.002 A
ATOM 25 C LIG d 1 -2.988 -0.896 0.000 0.00 0.00 0.018 A
ENDBRANCH 5 20
TORSDOF 2