REMARK VINA RESULT: -5.7 3.629 6.795 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 13.887 -12.097 8.591 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 13.151 -14.326 8.887 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 9.948 -10.704 8.115 0.00 0.00 0.103 C ATOM 4 C UNL d 1 11.530 -12.559 8.567 0.00 0.00 0.042 C ATOM 5 C UNL d 1 10.201 -12.032 8.486 0.00 0.00 0.057 C ATOM 6 C UNL d 1 11.059 -9.939 7.737 0.00 0.00 0.103 C ATOM 7 C UNL d 1 12.619 -11.705 8.411 0.00 0.00 0.075 C ATOM 8 C UNL d 1 12.363 -10.425 7.966 0.00 0.00 0.072 C ATOM 9 C UNL d 1 11.882 -13.914 8.704 0.00 0.00 0.142 C ATOM 10 C UNL d 1 14.094 -13.390 8.866 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 8.663 -10.188 8.049 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 7.800 -10.552 9.143 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 6.627 -11.485 8.780 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 6.636 -13.000 9.080 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 5.546 -13.864 8.574 0.00 0.00 0.092 N ATOM 16 C UNL d 1 5.767 -15.301 8.845 0.00 0.00 0.298 C ATOM 17 C UNL d 1 6.999 -15.874 8.128 0.00 0.00 0.198 C ATOM 18 O UNL d 1 6.904 -15.711 6.706 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 6.668 -14.344 6.340 0.00 0.00 0.198 C ATOM 20 C UNL d 1 5.448 -13.760 7.081 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 11.079 -8.709 7.136 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 12.308 -8.276 6.579 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 10.899 -14.894 8.467 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 10.621 -15.385 9.299 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 10.589 -15.502 7.241 0.00 0.00 0.035 A ATOM 26 C UNL d 1 10.321 -14.749 6.086 0.00 0.00 0.056 A ATOM 27 C UNL d 1 9.992 -15.376 4.882 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 9.688 -14.417 3.484 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 9.906 -16.759 4.830 0.00 0.00 0.138 A ATOM 30 F UNL d 1 9.603 -17.385 3.683 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 10.127 -17.523 5.972 0.00 0.00 0.046 A ATOM 32 C UNL d 1 10.458 -16.896 7.175 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8