REMARK VINA RESULT: -6.5 1.433 1.742 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 8.959 -10.331 -4.974 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 8.447 -9.172 -2.976 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 8.979 -6.769 -7.209 0.00 0.00 0.103 C ATOM 4 C UNL d 1 8.759 -7.938 -5.034 0.00 0.00 0.042 C ATOM 5 C UNL d 1 8.860 -6.741 -5.813 0.00 0.00 0.057 C ATOM 6 C UNL d 1 8.902 -8.030 -7.817 0.00 0.00 0.103 C ATOM 7 C UNL d 1 8.921 -9.177 -5.651 0.00 0.00 0.075 C ATOM 8 C UNL d 1 8.953 -9.198 -7.030 0.00 0.00 0.072 C ATOM 9 C UNL d 1 8.412 -8.020 -3.673 0.00 0.00 0.142 C ATOM 10 C UNL d 1 8.762 -10.271 -3.652 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 9.092 -5.612 -7.964 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 7.869 -5.155 -8.572 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 7.780 -3.636 -8.822 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 8.808 -2.866 -9.678 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 9.298 -1.540 -9.237 0.00 0.00 0.092 N ATOM 16 C UNL d 1 10.661 -1.231 -9.723 0.00 0.00 0.298 C ATOM 17 C UNL d 1 11.735 -2.179 -9.169 0.00 0.00 0.198 C ATOM 18 O UNL d 1 11.771 -2.156 -7.736 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 10.483 -2.427 -7.165 0.00 0.00 0.198 C ATOM 20 C UNL d 1 9.398 -1.493 -7.741 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 8.773 -8.325 -9.148 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 8.966 -9.674 -9.537 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 7.838 -6.893 -3.054 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 8.501 -6.156 -2.881 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 6.637 -6.844 -2.332 0.00 0.00 0.035 A ATOM 26 C UNL d 1 5.533 -7.643 -2.672 0.00 0.00 0.056 A ATOM 27 C UNL d 1 4.339 -7.561 -1.953 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 3.015 -8.571 -2.391 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.232 -6.663 -0.901 0.00 0.00 0.138 A ATOM 30 F UNL d 1 3.100 -6.573 -0.187 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 5.299 -5.832 -0.573 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.493 -5.915 -1.291 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8