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sti_ob.pdbqt
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REMARK Name = A STI 201 (1)
REMARK 8 active torsions:
REMARK status: ('A' for Active; 'I' for Inactive)
REMARK 1 A between atoms: C_3 and C_7
REMARK 2 A between atoms: N_13 and C_14
REMARK 3 A between atoms: C_15 and C_37
REMARK 4 A between atoms: C_18 and N_20
REMARK 5 A between atoms: C_21 and C_22
REMARK 6 A between atoms: C_25 and C_28
REMARK 7 A between atoms: C_28 and N_29
REMARK 8 A between atoms: N_32 and C_33
REMARK x y z vdW Elec q Type
REMARK _______ _______ _______ _____ _____ ______ ____
ROOT
ATOM 1 C UNL 1 15.335 54.263 11.907 0.00 0.00 +0.038 A
ATOM 2 C UNL 1 15.242 53.370 12.955 0.00 0.00 +0.046 A
ATOM 3 C UNL 1 16.253 52.462 13.204 0.00 0.00 +0.035 A
ATOM 4 C UNL 1 17.363 52.459 12.377 0.00 0.00 +0.024 A
ATOM 5 C UNL 1 17.461 53.345 11.330 0.00 0.00 +0.007 A
ATOM 6 C UNL 1 16.455 54.250 11.086 0.00 0.00 -0.029 A
ATOM 7 C UNL 1 16.607 55.222 9.929 0.00 0.00 +0.045 C
ENDROOT
BRANCH 1 11
ATOM 8 C UNL 1 15.416 58.161 13.163 0.00 0.00 +0.077 A
ATOM 9 N UNL 1 15.414 56.874 12.771 0.00 0.00 -0.214 NA
ATOM 10 C UNL 1 14.313 56.486 12.096 0.00 0.00 +0.220 A
ATOM 11 N UNL 1 14.283 55.188 11.682 0.00 0.00 -0.283 N
ATOM 12 H UNL 1 13.568 54.912 11.255 0.00 0.00 +0.155 HD
ATOM 13 N UNL 1 13.232 57.221 11.769 0.00 0.00 -0.223 NA
ATOM 14 C UNL 1 13.288 58.498 12.182 0.00 0.00 +0.116 A
ATOM 15 C UNL 1 14.355 58.998 12.874 0.00 0.00 +0.048 A
BRANCH 8 20
ATOM 16 C UNL 1 17.931 60.175 15.062 0.00 0.00 +0.020 A
ATOM 17 C UNL 1 18.864 59.187 15.264 0.00 0.00 +0.111 A
ATOM 18 N UNL 1 18.721 57.924 14.821 0.00 0.00 -0.263 NA
ATOM 19 C UNL 1 17.582 57.667 14.150 0.00 0.00 +0.120 A
ATOM 20 C UNL 1 16.590 58.599 13.902 0.00 0.00 +0.019 A
ATOM 21 C UNL 1 16.785 59.881 14.377 0.00 0.00 +0.013 A
ENDBRANCH 8 20
ENDBRANCH 1 11
BRANCH 3 22
ATOM 22 N UNL 1 16.178 51.550 14.271 0.00 0.00 -0.281 N
ATOM 23 H UNL 1 16.851 50.992 14.336 0.00 0.00 +0.155 HD
ATOM 24 C UNL 1 15.207 51.438 15.207 0.00 0.00 +0.248 C
ATOM 25 O UNL 1 14.229 52.178 15.256 0.00 0.00 -0.270 OA
BRANCH 24 26
ATOM 26 C UNL 1 15.282 50.389 16.259 0.00 0.00 +0.037 A
ATOM 27 C UNL 1 16.198 49.344 16.226 0.00 0.00 +0.013 A
ATOM 28 C UNL 1 16.227 48.402 17.225 0.00 0.00 +0.006 A
ATOM 29 C UNL 1 15.344 48.473 18.280 0.00 0.00 -0.033 A
ATOM 30 C UNL 1 14.428 49.500 18.325 0.00 0.00 +0.006 A
ATOM 31 C UNL 1 14.397 50.443 17.327 0.00 0.00 +0.013 A
BRANCH 29 32
ATOM 32 C UNL 1 15.380 47.421 19.380 0.00 0.00 +0.120 C
BRANCH 32 33
ATOM 33 N UNL 1 16.714 47.252 19.990 0.00 0.00 -0.288 NA
ATOM 34 C UNL 1 16.731 46.053 20.848 0.00 0.00 +0.135 C
ATOM 35 C UNL 1 18.150 45.826 21.406 0.00 0.00 +0.146 C
ATOM 36 N UNL 1 18.611 47.050 22.154 0.00 0.00 +0.235 N
ATOM 37 H UNL 1 18.031 47.160 22.850 0.00 0.00 +0.203 HD
ATOM 38 C UNL 1 19.976 46.870 22.761 0.00 0.00 +0.190 C
ATOM 39 C UNL 1 18.515 48.301 21.319 0.00 0.00 +0.146 C
ATOM 40 C UNL 1 17.083 48.451 20.770 0.00 0.00 +0.135 C
ENDBRANCH 32 33
ENDBRANCH 29 32
ENDBRANCH 24 26
ENDBRANCH 3 22
TORSDOF 6