REMARK VINA RESULT: -7.8 1.910 5.449 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 -18.734 20.661 -31.984 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -19.986 20.707 -29.977 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -15.105 21.093 -29.904 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -17.572 20.842 -29.890 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -16.311 20.901 -29.214 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -15.204 21.316 -31.283 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -17.607 20.834 -31.282 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -16.430 21.106 -31.948 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -18.842 20.881 -29.287 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -19.875 20.561 -31.292 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -13.882 21.136 -29.253 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -13.925 21.621 -27.898 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -13.437 20.628 -26.823 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -14.397 19.736 -26.008 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -14.435 19.841 -24.531 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -15.710 19.372 -23.946 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -16.921 20.218 -24.366 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -16.756 21.594 -23.998 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -15.531 22.139 -24.505 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -14.316 21.274 -24.107 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 -14.229 21.739 -32.148 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -13.464 20.742 -32.803 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -18.939 21.292 -27.943 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -18.287 22.018 -27.704 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -19.507 20.577 -26.879 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -20.248 21.213 -25.869 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -20.785 20.483 -24.806 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -21.702 21.299 -23.598 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -20.567 19.116 -24.733 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -21.082 18.391 -23.729 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -19.802 18.471 -25.700 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -19.266 19.200 -26.763 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8