REMARK VINA RESULT: -7.2 1.417 1.796 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 3.026 -1.546 8.745 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 0.787 -2.205 9.131 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 2.595 1.864 11.167 0.00 0.00 0.103 C ATOM 4 C UNL d 1 1.656 -0.219 10.205 0.00 0.00 0.042 C ATOM 5 C UNL d 1 1.576 0.904 11.088 0.00 0.00 0.057 C ATOM 6 C UNL d 1 3.660 1.719 10.267 0.00 0.00 0.103 C ATOM 7 C UNL d 1 2.832 -0.456 9.496 0.00 0.00 0.075 C ATOM 8 C UNL d 1 3.793 0.534 9.515 0.00 0.00 0.072 C ATOM 9 C UNL d 1 0.609 -1.102 9.884 0.00 0.00 0.142 C ATOM 10 C UNL d 1 2.002 -2.400 8.631 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 2.527 2.945 12.032 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 1.247 3.603 12.091 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 1.282 5.084 12.519 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 1.373 6.247 11.508 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 2.244 7.410 11.791 0.00 0.00 0.092 N ATOM 16 C UNL d 1 2.376 8.332 10.642 0.00 0.00 0.298 C ATOM 17 C UNL d 1 3.064 7.695 9.425 0.00 0.00 0.198 C ATOM 18 O UNL d 1 4.377 7.219 9.751 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 4.358 6.326 10.873 0.00 0.00 0.198 C ATOM 20 C UNL d 1 3.642 6.955 12.087 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 4.659 2.611 9.982 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 4.613 3.258 8.722 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -0.710 -0.734 10.212 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.767 0.154 10.679 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -1.821 -1.582 10.326 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.092 -1.206 9.860 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -4.190 -2.057 10.005 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -5.727 -1.566 9.403 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -4.030 -3.281 10.638 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.066 -4.121 10.779 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -2.790 -3.656 11.144 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -1.692 -2.806 10.997 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8