REMARK VINA RESULT: 4.3 4.562 9.280 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 26.269 12.567 -7.429 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 28.258 12.067 -8.608 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 24.104 9.651 -9.550 0.00 0.00 0.103 C ATOM 4 C UNL d 1 26.243 10.808 -9.064 0.00 0.00 0.042 C ATOM 5 C UNL d 1 25.493 9.768 -9.702 0.00 0.00 0.057 C ATOM 6 C UNL d 1 23.470 10.660 -8.812 0.00 0.00 0.103 C ATOM 7 C UNL d 1 25.612 11.652 -8.153 0.00 0.00 0.075 C ATOM 8 C UNL d 1 24.237 11.584 -8.073 0.00 0.00 0.072 C ATOM 9 C UNL d 1 27.582 11.150 -9.327 0.00 0.00 0.142 C ATOM 10 C UNL d 1 27.580 12.704 -7.660 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 23.378 8.637 -10.154 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 22.413 9.072 -11.131 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 20.987 8.516 -10.947 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 20.583 7.087 -11.369 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 21.257 6.432 -12.513 0.00 0.00 0.092 N ATOM 16 C UNL d 1 20.533 5.243 -13.013 0.00 0.00 0.298 C ATOM 17 C UNL d 1 20.449 4.104 -11.986 0.00 0.00 0.198 C ATOM 18 O UNL d 1 21.750 3.673 -11.567 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 22.543 4.765 -11.080 0.00 0.00 0.198 C ATOM 20 C UNL d 1 22.606 5.921 -12.100 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 22.129 10.909 -8.692 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 21.383 10.055 -7.841 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 28.191 10.648 -10.493 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 28.941 10.006 -10.302 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 28.152 11.210 -11.777 0.00 0.00 0.035 A ATOM 26 C UNL d 1 28.254 10.421 -12.936 0.00 0.00 0.056 A ATOM 27 C UNL d 1 28.236 11.005 -14.204 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 28.346 10.002 -15.599 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 28.138 12.383 -14.324 0.00 0.00 0.138 A ATOM 30 F UNL d 1 28.106 12.967 -15.531 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 28.076 13.187 -13.190 0.00 0.00 0.046 A ATOM 32 C UNL d 1 28.093 12.603 -11.921 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8