REMARK VINA RESULT: -8.3 1.754 2.228 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 -6.860 -2.257 5.385 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -8.080 -1.833 3.403 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -4.747 -5.416 3.585 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.401 -3.575 3.431 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.600 -4.598 2.830 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -4.784 -5.241 4.975 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.237 -3.276 4.782 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.461 -4.135 5.531 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.444 -2.863 2.811 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -7.727 -1.549 4.652 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.960 -6.398 3.004 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.330 -6.765 1.662 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.326 -6.359 0.564 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.356 -5.168 0.713 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.906 -5.409 0.896 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -0.539 -5.723 2.294 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -0.805 -4.565 3.269 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.090 -3.381 2.888 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -0.366 -3.004 1.533 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -0.126 -4.174 0.556 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 -4.231 -6.032 5.946 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.650 -5.812 7.282 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -7.966 -3.349 1.598 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -8.395 -4.254 1.687 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -7.619 -2.939 0.302 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -6.882 -3.763 -0.565 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -6.528 -3.325 -1.843 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.639 -4.373 -2.881 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.888 -2.051 -2.255 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -6.571 -1.611 -3.482 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -7.583 -1.203 -1.399 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -7.938 -1.642 -0.122 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8