REMARK VINA RESULT: -4.2 2.637 4.575 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 -3.943 -16.145 2.263 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -5.842 -15.585 3.558 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -1.865 -17.534 5.645 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.921 -16.601 4.621 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.214 -17.162 5.732 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -1.215 -17.245 4.438 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -3.308 -16.544 3.372 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -1.960 -16.833 3.314 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.188 -15.990 4.663 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.205 -15.721 2.400 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.182 -18.091 6.715 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -2.014 -18.640 7.754 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -1.742 -20.115 8.112 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -1.872 -21.264 7.088 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.671 -22.015 6.659 0.00 0.00 0.092 N ATOM 16 C UNL d 1 0.183 -21.261 5.717 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -0.507 -20.954 4.379 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.929 -22.153 3.716 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -1.752 -22.969 4.560 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -1.071 -23.255 5.915 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 0.125 -17.300 4.160 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.503 -17.698 2.853 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.722 -15.627 5.915 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -6.525 -16.173 6.175 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -5.533 -14.416 6.596 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.850 -13.335 6.013 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.654 -12.146 6.719 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -3.827 -10.839 5.962 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.120 -12.036 8.021 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -4.956 -10.901 8.715 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -5.764 -13.108 8.632 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -5.961 -14.296 7.926 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8