REMARK VINA RESULT: -5.9 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 47.344 61.891 59.039 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 45.959 63.183 60.457 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 45.421 63.343 55.593 0.00 0.00 0.103 C ATOM 4 C UNL d 1 45.698 63.338 58.057 0.00 0.00 0.042 C ATOM 5 C UNL d 1 45.127 63.872 56.858 0.00 0.00 0.057 C ATOM 6 C UNL d 1 46.234 62.202 55.568 0.00 0.00 0.103 C ATOM 7 C UNL d 1 46.681 62.354 57.973 0.00 0.00 0.075 C ATOM 8 C UNL d 1 46.902 61.783 56.737 0.00 0.00 0.072 C ATOM 9 C UNL d 1 45.302 63.638 59.373 0.00 0.00 0.142 C ATOM 10 C UNL d 1 46.981 62.362 60.238 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 44.881 63.868 54.429 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 43.509 63.513 54.175 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 42.619 64.650 53.635 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 42.705 66.101 54.155 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 41.530 66.731 54.798 0.00 0.00 0.092 N ATOM 16 C UNL d 1 41.682 68.189 54.992 0.00 0.00 0.298 C ATOM 17 C UNL d 1 42.821 68.561 55.954 0.00 0.00 0.198 C ATOM 18 O UNL d 1 42.632 67.970 57.247 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 42.454 66.549 57.164 0.00 0.00 0.198 C ATOM 20 C UNL d 1 41.329 66.174 56.176 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 46.496 61.369 54.513 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 47.567 61.723 53.654 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 44.073 64.294 59.575 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 44.177 65.266 59.811 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 42.836 63.702 59.872 0.00 0.00 0.035 A ATOM 26 C UNL d 1 41.921 63.351 58.865 0.00 0.00 0.056 A ATOM 27 C UNL d 1 40.686 62.783 59.185 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 39.600 62.350 57.920 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 40.347 62.583 60.514 0.00 0.00 0.138 A ATOM 30 F UNL d 1 39.172 62.028 60.847 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 41.220 62.960 61.529 0.00 0.00 0.046 A ATOM 32 C UNL d 1 42.456 63.526 61.210 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8