REMARK VINA RESULT: -6.9 4.216 8.581 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 4.790 0.638 11.597 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 3.845 2.660 12.384 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 1.510 -0.081 9.066 0.00 0.00 0.103 C ATOM 4 C UNL d 1 2.684 1.367 10.701 0.00 0.00 0.042 C ATOM 5 C UNL d 1 1.628 1.129 9.764 0.00 0.00 0.057 C ATOM 6 C UNL d 1 2.428 -1.086 9.400 0.00 0.00 0.103 C ATOM 7 C UNL d 1 3.710 0.434 10.833 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.542 -0.785 10.209 0.00 0.00 0.072 C ATOM 9 C UNL d 1 2.766 2.438 11.609 0.00 0.00 0.142 C ATOM 10 C UNL d 1 4.829 1.771 12.310 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 0.497 -0.308 8.148 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.807 0.155 8.546 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -1.989 -0.734 8.109 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.393 -2.020 8.861 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -2.926 -1.939 10.239 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -3.466 -3.225 10.733 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -4.684 -3.719 9.939 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -5.753 -2.763 9.963 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -5.322 -1.469 9.518 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -4.081 -0.985 10.296 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 2.408 -2.408 9.042 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 3.604 -2.956 8.513 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 1.612 3.208 11.850 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 0.762 2.738 11.593 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 1.542 4.600 12.007 0.00 0.00 0.035 A ATOM 26 C UNL d 1 0.470 5.219 12.673 0.00 0.00 0.056 A ATOM 27 C UNL d 1 0.410 6.609 12.798 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -0.911 7.327 13.637 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 1.408 7.392 12.237 0.00 0.00 0.138 A ATOM 30 F UNL d 1 1.379 8.727 12.353 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 2.457 6.803 11.538 0.00 0.00 0.046 A ATOM 32 C UNL d 1 2.518 5.413 11.415 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8