REMARK VINA RESULT: -4.7 2.895 4.226 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 37.276 -42.819 -46.067 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 36.736 -41.335 -44.305 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 40.841 -40.756 -46.910 0.00 0.00 0.103 C ATOM 4 C UNL d 1 38.804 -41.047 -45.527 0.00 0.00 0.042 C ATOM 5 C UNL d 1 40.066 -40.425 -45.790 0.00 0.00 0.057 C ATOM 6 C UNL d 1 40.275 -41.665 -47.814 0.00 0.00 0.103 C ATOM 7 C UNL d 1 38.383 -42.111 -46.321 0.00 0.00 0.075 C ATOM 8 C UNL d 1 39.107 -42.374 -47.465 0.00 0.00 0.072 C ATOM 9 C UNL d 1 37.854 -40.635 -44.575 0.00 0.00 0.142 C ATOM 10 C UNL d 1 36.519 -42.423 -45.036 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 42.070 -40.165 -47.159 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 42.188 -38.794 -46.735 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 41.901 -37.738 -47.821 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 40.477 -37.241 -48.151 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 40.037 -37.131 -49.560 0.00 0.00 0.092 N ATOM 16 C UNL d 1 38.835 -36.286 -49.732 0.00 0.00 0.298 C ATOM 17 C UNL d 1 37.586 -36.856 -49.041 0.00 0.00 0.198 C ATOM 18 O UNL d 1 37.267 -38.166 -49.526 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 38.383 -39.062 -49.421 0.00 0.00 0.198 C ATOM 20 C UNL d 1 39.645 -38.478 -50.090 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 40.705 -41.992 -49.072 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 39.750 -42.539 -49.965 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 37.982 -39.354 -44.004 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 38.168 -39.378 -43.016 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 37.508 -38.142 -44.528 0.00 0.00 0.035 A ATOM 26 C UNL d 1 38.379 -37.146 -45.001 0.00 0.00 0.056 A ATOM 27 C UNL d 1 37.884 -35.938 -45.497 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 38.984 -34.751 -46.085 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 36.517 -35.707 -45.503 0.00 0.00 0.138 A ATOM 30 F UNL d 1 36.016 -34.560 -45.985 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 35.638 -36.662 -45.001 0.00 0.00 0.046 A ATOM 32 C UNL d 1 36.133 -37.871 -44.507 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8