REMARK VINA RESULT: -4.7 0.000 0.000 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 -4.305 -16.078 2.160 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -6.090 -15.558 3.624 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -1.889 -17.400 5.338 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -4.053 -16.521 4.508 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -3.233 -17.060 5.549 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -1.361 -17.100 4.075 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -3.560 -16.456 3.206 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -2.217 -16.712 3.025 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.326 -15.942 4.665 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -5.559 -15.685 2.413 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.096 -17.935 6.341 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.772 -17.030 7.415 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 0.424 -16.093 7.154 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 0.271 -14.695 6.517 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -1.059 -14.049 6.455 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -1.327 -13.389 5.159 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -0.379 -12.217 4.863 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.449 -11.212 5.883 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -0.222 -11.759 7.189 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -1.155 -12.954 7.476 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 -0.051 -17.124 3.675 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 0.376 -18.240 2.913 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.750 -15.586 5.960 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -6.503 -16.159 6.301 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -5.543 -14.361 6.611 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -4.878 -13.292 5.989 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.664 -12.089 6.665 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -3.860 -10.797 5.859 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -5.092 -11.954 7.977 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -4.909 -10.805 8.644 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -5.716 -13.014 8.627 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -5.932 -14.216 7.951 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8