REMARK VINA RESULT: -6.1 3.658 6.240 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 -2.022 11.069 -14.400 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -0.006 12.203 -13.902 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -3.385 14.240 -16.802 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -1.622 13.221 -15.387 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.083 14.240 -16.280 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.245 13.239 -16.332 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.430 12.117 -15.127 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -3.733 12.165 -15.574 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -0.432 13.248 -14.637 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -0.803 11.141 -13.852 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.829 15.218 -17.679 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -3.354 16.549 -17.404 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -4.287 17.421 -16.540 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -4.161 17.517 -15.004 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -5.252 17.021 -14.136 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -5.228 17.604 -12.777 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -3.974 17.228 -11.974 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -3.842 15.807 -11.837 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -3.874 15.143 -13.108 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -5.120 15.542 -13.926 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 -5.600 13.134 -16.502 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -6.089 13.115 -17.832 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 0.256 14.470 -14.505 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.329 15.219 -14.177 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 1.462 14.833 -15.121 0.00 0.00 0.035 A ATOM 26 C UNL d 1 1.683 14.636 -16.494 0.00 0.00 0.056 A ATOM 27 C UNL d 1 2.901 14.984 -17.082 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 3.124 14.743 -18.772 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 3.916 15.511 -16.297 0.00 0.00 0.138 A ATOM 30 F UNL d 1 5.090 15.864 -16.840 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 3.734 15.676 -14.928 0.00 0.00 0.046 A ATOM 32 C UNL d 1 2.516 15.330 -14.340 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8