REMARK VINA RESULT: -8.9 4.379 8.971 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 4.244 -1.687 2.782 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 5.067 -3.813 2.147 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 1.032 -3.397 4.890 0.00 0.00 0.103 C ATOM 4 C UNL d 1 3.104 -3.656 3.552 0.00 0.00 0.042 C ATOM 5 C UNL d 1 2.047 -4.200 4.351 0.00 0.00 0.057 C ATOM 6 C UNL d 1 1.051 -2.042 4.531 0.00 0.00 0.103 C ATOM 7 C UNL d 1 3.219 -2.275 3.411 0.00 0.00 0.075 C ATOM 8 C UNL d 1 2.174 -1.501 3.872 0.00 0.00 0.072 C ATOM 9 C UNL d 1 4.028 -4.387 2.785 0.00 0.00 0.142 C ATOM 10 C UNL d 1 5.152 -2.489 2.211 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 0.017 -3.919 5.675 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -0.849 -4.861 5.013 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -2.324 -4.430 4.887 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -3.299 -4.418 6.084 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -2.796 -4.662 7.455 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -3.761 -5.386 8.310 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -5.055 -4.599 8.570 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -4.787 -3.336 9.193 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -3.840 -2.561 8.445 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.552 -3.361 8.159 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 0.081 -1.097 4.732 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -0.163 -0.688 6.067 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 3.766 -5.746 2.525 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 3.075 -5.885 1.808 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 4.029 -6.835 3.369 0.00 0.00 0.035 A ATOM 26 C UNL d 1 3.385 -6.986 4.608 0.00 0.00 0.056 A ATOM 27 C UNL d 1 3.679 -8.067 5.442 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 2.854 -8.225 6.945 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.636 -8.992 5.054 0.00 0.00 0.138 A ATOM 30 F UNL d 1 4.928 -10.045 5.831 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 5.316 -8.840 3.850 0.00 0.00 0.046 A ATOM 32 C UNL d 1 5.021 -7.761 3.015 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8