REMARK VINA RESULT: -7.5 0.000 0.000 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 2.729 -1.503 10.216 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 0.802 -2.332 9.122 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 0.839 2.148 11.099 0.00 0.00 0.103 C ATOM 4 C UNL d 1 0.756 -0.136 10.137 0.00 0.00 0.042 C ATOM 5 C UNL d 1 0.121 1.085 10.531 0.00 0.00 0.057 C ATOM 6 C UNL d 1 2.229 1.990 11.178 0.00 0.00 0.103 C ATOM 7 C UNL d 1 2.099 -0.345 10.445 0.00 0.00 0.075 C ATOM 8 C UNL d 1 2.813 0.732 10.925 0.00 0.00 0.072 C ATOM 9 C UNL d 1 0.183 -1.159 9.361 0.00 0.00 0.142 C ATOM 10 C UNL d 1 2.034 -2.467 9.600 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 0.224 3.325 11.496 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.583 3.792 12.810 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 1.017 5.269 12.893 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 1.491 6.074 11.664 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 2.387 7.240 11.840 0.00 0.00 0.092 N ATOM 16 C UNL d 1 2.396 8.150 10.675 0.00 0.00 0.298 C ATOM 17 C UNL d 1 2.950 7.500 9.398 0.00 0.00 0.198 C ATOM 18 O UNL d 1 4.290 7.026 9.587 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 4.391 6.145 10.714 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.809 6.786 11.991 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 3.175 2.933 11.480 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.395 2.476 12.037 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -1.008 -0.889 8.659 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.883 -0.229 7.910 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.320 -1.096 9.106 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -2.775 -2.362 9.513 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.093 -2.550 9.934 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -4.605 -4.114 10.442 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -4.974 -1.479 9.929 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -6.241 -1.630 10.339 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -4.557 -0.225 9.491 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -3.238 -0.037 9.072 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8