REMARK VINA RESULT: -4.8 3.164 5.418 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 37.592 -39.335 -42.731 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 39.890 -39.632 -43.210 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 36.882 -37.590 -46.490 0.00 0.00 0.103 C ATOM 4 C UNL d 1 38.428 -38.672 -44.882 0.00 0.00 0.042 C ATOM 5 C UNL d 1 38.128 -38.153 -46.182 0.00 0.00 0.057 C ATOM 6 C UNL d 1 35.970 -37.476 -45.432 0.00 0.00 0.103 C ATOM 7 C UNL d 1 37.420 -38.754 -43.924 0.00 0.00 0.075 C ATOM 8 C UNL d 1 36.226 -38.124 -44.206 0.00 0.00 0.072 C ATOM 9 C UNL d 1 39.699 -39.044 -44.407 0.00 0.00 0.142 C ATOM 10 C UNL d 1 38.818 -39.790 -42.442 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 36.584 -37.100 -47.752 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 37.713 -36.953 -48.634 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 38.273 -35.522 -48.761 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 37.916 -34.391 -47.773 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 38.901 -33.953 -46.758 0.00 0.00 0.092 N ATOM 16 C UNL d 1 38.634 -34.501 -45.411 0.00 0.00 0.298 C ATOM 17 C UNL d 1 37.306 -34.017 -44.809 0.00 0.00 0.198 C ATOM 18 O UNL d 1 37.260 -32.588 -44.712 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 37.529 -31.958 -45.972 0.00 0.00 0.198 C ATOM 20 C UNL d 1 38.849 -32.464 -46.590 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 34.789 -36.784 -45.398 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 34.497 -36.052 -44.220 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 40.837 -38.633 -45.128 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 41.090 -37.675 -44.953 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 41.368 -39.226 -46.282 0.00 0.00 0.035 A ATOM 26 C UNL d 1 41.506 -38.516 -47.486 0.00 0.00 0.056 A ATOM 27 C UNL d 1 42.016 -39.134 -48.629 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 42.185 -38.222 -50.080 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 42.372 -40.473 -48.584 0.00 0.00 0.138 A ATOM 30 F UNL d 1 42.876 -41.087 -49.665 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 42.206 -41.207 -47.414 0.00 0.00 0.046 A ATOM 32 C UNL d 1 41.697 -40.589 -46.270 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8