REMARK VINA RESULT: -7.6 1.768 2.172 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 -0.575 -5.420 -2.640 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 1.190 -5.290 -1.070 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.466 -2.034 -1.016 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -0.565 -3.625 -1.045 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -1.194 -2.428 -0.576 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -3.133 -2.921 -1.872 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -1.158 -4.360 -2.069 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -2.442 -4.013 -2.435 0.00 0.00 0.072 C ATOM 9 C UNL d 1 0.589 -4.224 -0.507 0.00 0.00 0.142 C ATOM 10 C UNL d 1 0.602 -5.814 -2.140 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.071 -0.867 -0.576 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -2.415 -0.216 0.529 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.056 -0.451 1.912 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -4.177 -1.485 2.152 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -5.279 -1.182 3.092 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -5.864 -2.389 3.715 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -6.543 -3.328 2.706 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -7.589 -2.661 1.987 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -7.124 -1.458 1.359 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -6.417 -0.528 2.367 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 -4.442 -2.893 -2.271 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -5.410 -3.392 -1.364 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 1.037 -3.809 0.761 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 1.987 -3.479 0.756 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 0.498 -4.161 2.007 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -0.365 -3.304 2.711 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -0.872 -3.666 3.961 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -1.940 -2.595 4.783 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.504 -4.878 4.526 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -0.987 -5.254 5.719 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 0.381 -5.724 3.865 0.00 0.00 0.046 A ATOM 32 C UNL d 1 0.887 -5.363 2.615 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8