REMARK VINA RESULT: -9.0 1.032 1.347 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 -1.865 -4.248 6.719 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -3.925 -3.914 5.604 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -0.802 -0.204 6.280 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -2.438 -2.040 5.968 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.078 -0.656 5.916 0.00 0.00 0.057 C ATOM 6 C UNL d 1 0.137 -1.189 6.613 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -1.554 -2.961 6.526 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -0.275 -2.524 6.802 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.596 -2.621 5.419 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -3.063 -4.660 6.285 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -0.455 1.138 6.244 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 0.015 1.615 4.969 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -0.938 1.379 3.780 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -0.456 0.854 2.410 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.913 -0.465 1.917 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -0.507 -1.587 2.791 0.00 0.00 0.298 C ATOM 17 C UNL d 1 1.016 -1.777 2.872 0.00 0.00 0.198 C ATOM 18 O UNL d 1 1.587 -2.007 1.577 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 1.232 -0.976 0.645 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -0.295 -0.766 0.585 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 1.488 -1.050 6.792 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 1.989 -1.205 8.109 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -4.351 -1.875 4.494 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -3.876 -1.732 3.619 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -5.430 -1.024 4.773 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -6.426 -1.367 5.704 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -7.503 -0.514 5.950 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -8.692 -0.964 7.111 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -7.606 0.680 5.251 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -8.624 1.522 5.477 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -6.654 1.022 4.295 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -5.576 0.169 4.051 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8