REMARK VINA RESULT: 2.0 1.702 2.077 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 21.801 2.538 -12.188 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 20.628 2.687 -14.238 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 21.250 6.633 -11.407 0.00 0.00 0.103 C ATOM 4 C UNL d 1 20.861 4.649 -12.842 0.00 0.00 0.042 C ATOM 5 C UNL d 1 20.621 6.018 -12.499 0.00 0.00 0.057 C ATOM 6 C UNL d 1 22.199 5.865 -10.720 0.00 0.00 0.103 C ATOM 7 C UNL d 1 21.631 3.853 -11.998 0.00 0.00 0.075 C ATOM 8 C UNL d 1 22.311 4.483 -10.978 0.00 0.00 0.072 C ATOM 9 C UNL d 1 20.467 4.008 -14.031 0.00 0.00 0.142 C ATOM 10 C UNL d 1 21.251 2.003 -13.285 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 21.008 7.954 -11.064 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 22.120 8.851 -11.254 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 22.610 9.577 -9.986 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 23.734 10.635 -10.007 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 24.799 10.609 -8.978 0.00 0.00 0.092 N ATOM 16 C UNL d 1 24.821 11.820 -8.131 0.00 0.00 0.298 C ATOM 17 C UNL d 1 25.150 13.103 -8.910 0.00 0.00 0.198 C ATOM 18 O UNL d 1 26.421 13.010 -9.566 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 26.507 11.848 -10.402 0.00 0.00 0.198 C ATOM 20 C UNL d 1 26.150 10.563 -9.628 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 23.100 6.275 -9.774 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 24.418 5.761 -9.865 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 20.047 4.798 -15.118 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 19.320 5.449 -14.876 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 20.219 4.521 -16.482 0.00 0.00 0.035 A ATOM 26 C UNL d 1 20.482 5.534 -17.419 0.00 0.00 0.056 A ATOM 27 C UNL d 1 20.627 5.237 -18.776 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 20.966 6.507 -19.888 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 20.487 3.928 -19.210 0.00 0.00 0.138 A ATOM 30 F UNL d 1 20.633 3.615 -20.505 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 20.186 2.914 -18.306 0.00 0.00 0.046 A ATOM 32 C UNL d 1 20.043 3.210 -16.949 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8