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sti_adt.pdbqt
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sti_adt.pdbqt
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REMARK 7 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: C_11 and N_13
REMARK 3 A between atoms: N_13 and C_14
REMARK 4 A between atoms: C_18 and N_20
REMARK I between atoms: N_20 and C_21
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
ROOT
ATOM 1 C UNL d 1 15.335 54.263 11.907 0.00 0.00 0.057 A
ATOM 2 C UNL d 1 16.455 54.250 11.086 0.00 0.00 -0.035 A
ATOM 3 C UNL d 1 17.461 53.345 11.330 0.00 0.00 0.011 A
ATOM 4 C UNL d 1 17.363 52.459 12.377 0.00 0.00 0.030 A
ATOM 5 C UNL d 1 16.253 52.462 13.204 0.00 0.00 0.037 A
ATOM 6 C UNL d 1 15.242 53.370 12.955 0.00 0.00 0.060 A
ATOM 7 C UNL d 1 16.607 55.222 9.929 0.00 0.00 0.050 C
ENDROOT
BRANCH 5 8
ATOM 8 N UNL d 1 16.178 51.550 14.271 0.00 0.00 -0.323 N
ATOM 9 C UNL d 1 15.207 51.438 15.207 0.00 0.00 0.256 C
ATOM 10 O UNL d 1 14.229 52.178 15.256 0.00 0.00 -0.267 OA
ATOM 11 H UNL d 1 16.851 50.992 14.336 0.00 0.00 0.169 HD
BRANCH 9 12
ATOM 12 C UNL d 1 15.282 50.389 16.259 0.00 0.00 0.032 A
ATOM 13 C UNL d 1 14.397 50.443 17.327 0.00 0.00 0.017 A
ATOM 14 C UNL d 1 14.428 49.500 18.325 0.00 0.00 0.010 A
ATOM 15 C UNL d 1 15.344 48.473 18.280 0.00 0.00 -0.030 A
ATOM 16 C UNL d 1 16.227 48.402 17.225 0.00 0.00 0.010 A
ATOM 17 C UNL d 1 16.198 49.344 16.226 0.00 0.00 0.017 A
BRANCH 15 18
ATOM 18 C UNL d 1 15.380 47.421 19.380 0.00 0.00 0.311 C
BRANCH 18 19
ATOM 19 N UNL d 1 16.714 47.252 19.990 0.00 0.00 0.095 N
ATOM 20 C UNL d 1 17.083 48.451 20.770 0.00 0.00 0.300 C
ATOM 21 C UNL d 1 18.515 48.301 21.319 0.00 0.00 0.264 C
ATOM 22 N UNL d 1 18.611 47.050 22.154 0.00 0.00 -0.072 N
ATOM 23 C UNL d 1 19.976 46.870 22.761 0.00 0.00 0.269 C
ATOM 24 C UNL d 1 18.150 45.826 21.406 0.00 0.00 0.264 C
ATOM 25 H UNL d 1 18.031 47.160 22.850 0.00 0.00 0.279 HD
ATOM 26 C UNL d 1 16.731 46.053 20.848 0.00 0.00 0.300 C
ENDBRANCH 18 19
ENDBRANCH 15 18
ENDBRANCH 9 12
ENDBRANCH 5 8
BRANCH 1 27
ATOM 27 N UNL d 1 14.283 55.188 11.682 0.00 0.00 -0.188 N
ATOM 28 H UNL d 1 13.568 54.912 11.255 0.00 0.00 0.184 HD
BRANCH 27 29
ATOM 29 C UNL d 1 14.313 56.486 12.096 0.00 0.00 0.727 A
ATOM 30 N UNL d 1 13.232 57.221 11.769 0.00 0.00 -0.075 NA
ATOM 31 C UNL d 1 13.288 58.498 12.182 0.00 0.00 0.139 A
ATOM 32 C UNL d 1 14.355 58.998 12.874 0.00 0.00 0.053 A
ATOM 33 C UNL d 1 15.416 58.161 13.163 0.00 0.00 0.089 A
ATOM 34 N UNL d 1 15.414 56.874 12.771 0.00 0.00 -0.062 NA
BRANCH 33 35
ATOM 35 C UNL d 1 16.590 58.599 13.902 0.00 0.00 0.011 A
ATOM 36 C UNL d 1 16.785 59.881 14.377 0.00 0.00 0.017 A
ATOM 37 C UNL d 1 17.931 60.175 15.062 0.00 0.00 0.020 A
ATOM 38 C UNL d 1 18.864 59.187 15.264 0.00 0.00 0.116 A
ATOM 39 N UNL d 1 18.721 57.924 14.821 0.00 0.00 -0.272 NA
ATOM 40 C UNL d 1 17.582 57.667 14.150 0.00 0.00 0.130 A
ENDBRANCH 33 35
ENDBRANCH 27 29
ENDBRANCH 1 27
TORSDOF 7