REMARK VINA RESULT: -6.1 1.445 1.938 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 16.796 44.580 26.350 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 16.337 42.262 26.231 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 13.009 45.559 24.809 0.00 0.00 0.103 C ATOM 4 C UNL d 1 14.642 43.857 25.573 0.00 0.00 0.042 C ATOM 5 C UNL d 1 13.333 44.234 25.133 0.00 0.00 0.057 C ATOM 6 C UNL d 1 14.059 46.486 24.850 0.00 0.00 0.103 C ATOM 7 C UNL d 1 15.594 44.843 25.825 0.00 0.00 0.075 C ATOM 8 C UNL d 1 15.295 46.129 25.425 0.00 0.00 0.072 C ATOM 9 C UNL d 1 15.131 42.545 25.703 0.00 0.00 0.142 C ATOM 10 C UNL d 1 17.099 43.295 26.572 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 11.738 45.929 24.396 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 10.684 45.655 25.339 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 10.724 46.486 26.637 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 10.913 45.852 28.032 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 11.536 44.516 28.164 0.00 0.00 0.092 N ATOM 16 C UNL d 1 10.704 43.557 28.923 0.00 0.00 0.298 C ATOM 17 C UNL d 1 10.489 43.963 30.388 0.00 0.00 0.198 C ATOM 18 O UNL d 1 11.735 44.102 31.085 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 12.625 45.003 30.412 0.00 0.00 0.198 C ATOM 20 C UNL d 1 12.819 44.612 28.933 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 14.074 47.773 24.383 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 14.894 48.048 23.259 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 14.413 41.494 25.100 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 14.486 41.489 24.098 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 13.356 40.761 25.660 0.00 0.00 0.035 A ATOM 26 C UNL d 1 12.511 39.959 24.875 0.00 0.00 0.056 A ATOM 27 C UNL d 1 11.451 39.256 25.450 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 10.449 38.270 24.455 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 11.213 39.367 26.812 0.00 0.00 0.138 A ATOM 30 F UNL d 1 10.209 38.692 27.391 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 12.012 40.187 27.603 0.00 0.00 0.046 A ATOM 32 C UNL d 1 13.073 40.889 27.027 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8