REMARK VINA RESULT: -4.6 2.285 4.892 REMARK 8 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_4 and C_16 REMARK 2 A between atoms: O_4 and C_17 REMARK 3 A between atoms: O_5 and C_20 REMARK 4 A between atoms: N_6 and C_10 REMARK 5 A between atoms: N_7 and C_23 REMARK 6 A between atoms: N_7 and C_24 REMARK 7 A between atoms: C_10 and C_13 REMARK 8 A between atoms: C_13 and C_16 ROOT ATOM 1 N UNL d 1 21.476 -34.251 -6.170 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 19.306 -33.376 -6.522 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 20.626 -35.138 -2.148 0.00 0.00 0.103 C ATOM 4 C UNL d 1 19.896 -34.290 -4.361 0.00 0.00 0.042 C ATOM 5 C UNL d 1 19.619 -34.686 -3.013 0.00 0.00 0.057 C ATOM 6 C UNL d 1 21.937 -35.097 -2.641 0.00 0.00 0.103 C ATOM 7 C UNL d 1 21.172 -34.484 -4.887 0.00 0.00 0.075 C ATOM 8 C UNL d 1 22.171 -34.848 -4.009 0.00 0.00 0.072 C ATOM 9 C UNL d 1 19.017 -33.617 -5.228 0.00 0.00 0.142 C ATOM 10 C UNL d 1 20.510 -33.744 -6.945 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 20.358 -35.536 -0.848 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 19.609 -34.591 -0.060 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 20.417 -33.837 1.016 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 21.466 -32.758 0.674 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 21.347 -31.976 -0.578 0.00 0.00 0.092 N ATOM 16 C UNL d 1 22.496 -31.075 -0.814 0.00 0.00 0.298 C ATOM 17 C UNL d 1 22.635 -29.974 0.248 0.00 0.00 0.198 C ATOM 18 O UNL d 1 21.455 -29.162 0.323 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 20.276 -29.951 0.532 0.00 0.00 0.198 C ATOM 20 C UNL d 1 20.151 -31.074 -0.518 0.00 0.00 0.298 C ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 3 11 BRANCH 6 21 ATOM 21 O UNL d 1 23.109 -35.269 -1.954 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 24.145 -34.331 -2.189 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 17.865 -33.015 -4.688 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 17.010 -33.412 -5.038 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 17.773 -31.752 -4.084 0.00 0.00 0.035 A ATOM 26 C UNL d 1 17.202 -31.577 -2.812 0.00 0.00 0.056 A ATOM 27 C UNL d 1 17.101 -30.307 -2.240 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 16.411 -30.138 -0.671 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 17.550 -29.200 -2.944 0.00 0.00 0.138 A ATOM 30 F UNL d 1 17.475 -27.971 -2.412 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 18.081 -29.345 -4.222 0.00 0.00 0.046 A ATOM 32 C UNL d 1 18.184 -30.614 -4.793 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8