REMARK VINA RESULT: -5.4 2.253 5.977 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 39.183 67.124 55.983 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 38.688 64.911 56.659 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 43.266 66.228 55.528 0.00 0.00 0.103 C ATOM 4 C UNL d 1 40.954 65.503 56.053 0.00 0.00 0.042 C ATOM 5 C UNL d 1 42.335 65.217 55.803 0.00 0.00 0.057 C ATOM 6 C UNL d 1 42.796 67.546 55.600 0.00 0.00 0.103 C ATOM 7 C UNL d 1 40.479 66.802 55.886 0.00 0.00 0.075 C ATOM 8 C UNL d 1 41.413 67.799 55.698 0.00 0.00 0.072 C ATOM 9 C UNL d 1 39.996 64.604 56.556 0.00 0.00 0.142 C ATOM 10 C UNL d 1 38.334 66.147 56.326 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 44.600 65.953 55.272 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 44.864 64.643 54.735 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 46.148 63.962 55.249 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 46.215 63.204 56.592 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 45.067 63.243 57.526 0.00 0.00 0.092 N ATOM 16 C UNL d 1 45.440 63.670 58.892 0.00 0.00 0.298 C ATOM 17 C UNL d 1 46.400 62.698 59.594 0.00 0.00 0.198 C ATOM 18 O UNL d 1 45.840 61.381 59.689 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 45.426 60.883 58.410 0.00 0.00 0.198 C ATOM 20 C UNL d 1 44.484 61.872 57.692 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 43.521 68.708 55.592 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 42.803 69.924 55.720 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 40.438 63.401 57.138 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 40.374 62.614 56.515 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 40.557 63.116 58.506 0.00 0.00 0.035 A ATOM 26 C UNL d 1 41.669 63.531 59.257 0.00 0.00 0.056 A ATOM 27 C UNL d 1 41.777 63.216 60.613 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 43.148 63.759 61.502 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 40.784 62.465 61.224 0.00 0.00 0.138 A ATOM 30 F UNL d 1 40.858 62.159 62.527 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 39.694 62.008 60.490 0.00 0.00 0.046 A ATOM 32 C UNL d 1 39.585 62.324 59.135 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8