REMARK VINA RESULT: -5.7 3.951 6.504 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 9.009 -15.747 2.473 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 10.177 -14.135 3.752 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 7.298 -17.453 5.915 0.00 0.00 0.103 C ATOM 4 C UNL d 1 8.719 -15.718 4.857 0.00 0.00 0.042 C ATOM 5 C UNL d 1 8.049 -16.271 5.995 0.00 0.00 0.057 C ATOM 6 C UNL d 1 7.309 -18.117 4.681 0.00 0.00 0.103 C ATOM 7 C UNL d 1 8.515 -16.278 3.598 0.00 0.00 0.075 C ATOM 8 C UNL d 1 7.845 -17.483 3.542 0.00 0.00 0.072 C ATOM 9 C UNL d 1 9.671 -14.682 4.874 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.787 -14.665 2.598 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 6.637 -17.983 7.012 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 6.872 -17.300 8.258 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 7.621 -18.118 9.330 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 9.072 -17.810 9.757 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 10.146 -18.797 9.505 0.00 0.00 0.092 N ATOM 16 C UNL d 1 11.437 -18.425 10.125 0.00 0.00 0.298 C ATOM 17 C UNL d 1 12.038 -17.133 9.553 0.00 0.00 0.198 C ATOM 18 O UNL d 1 12.250 -17.231 8.138 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 11.053 -17.609 7.444 0.00 0.00 0.198 C ATOM 20 C UNL d 1 10.433 -18.891 8.036 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 6.851 -19.374 4.389 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 6.638 -19.687 3.023 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 10.252 -14.319 6.103 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 10.476 -15.109 6.684 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 10.180 -13.070 6.737 0.00 0.00 0.035 A ATOM 26 C UNL d 1 11.268 -12.181 6.754 0.00 0.00 0.056 A ATOM 27 C UNL d 1 11.181 -10.952 7.411 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 12.532 -9.885 7.392 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 10.013 -10.611 8.076 0.00 0.00 0.138 A ATOM 30 F UNL d 1 9.900 -9.432 8.704 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 8.937 -11.493 8.107 0.00 0.00 0.046 A ATOM 32 C UNL d 1 9.023 -12.721 7.449 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8