REMARK VINA RESULT: -5.9 4.670 8.647 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 34.572 2.914 -40.317 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 32.618 4.075 -40.976 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 33.816 -0.201 -43.039 0.00 0.00 0.103 C ATOM 4 C UNL d 1 33.203 1.995 -42.064 0.00 0.00 0.042 C ATOM 5 C UNL d 1 33.028 0.959 -43.036 0.00 0.00 0.057 C ATOM 6 C UNL d 1 34.728 -0.338 -41.984 0.00 0.00 0.103 C ATOM 7 C UNL d 1 34.273 1.929 -41.173 0.00 0.00 0.075 C ATOM 8 C UNL d 1 34.989 0.752 -41.129 0.00 0.00 0.072 C ATOM 9 C UNL d 1 32.333 3.075 -41.832 0.00 0.00 0.142 C ATOM 10 C UNL d 1 33.749 3.970 -40.288 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 33.659 -1.199 -43.988 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 32.611 -0.970 -44.950 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 32.927 -1.415 -46.392 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 34.366 -1.514 -46.944 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 34.976 -0.358 -47.639 0.00 0.00 0.092 N ATOM 16 C UNL d 1 36.241 -0.693 -48.328 0.00 0.00 0.298 C ATOM 17 C UNL d 1 37.360 -1.128 -47.369 0.00 0.00 0.198 C ATOM 18 O UNL d 1 37.650 -0.110 -46.402 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 36.475 0.301 -45.690 0.00 0.00 0.198 C ATOM 20 C UNL d 1 35.341 0.711 -46.652 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 35.453 -1.444 -41.626 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 36.768 -1.554 -42.143 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 31.036 3.027 -42.379 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 30.819 2.141 -42.803 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 30.229 4.115 -42.740 0.00 0.00 0.035 A ATOM 26 C UNL d 1 29.434 4.098 -43.899 0.00 0.00 0.056 A ATOM 27 C UNL d 1 28.656 5.203 -44.251 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 27.682 5.134 -45.670 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 28.683 6.341 -43.460 0.00 0.00 0.138 A ATOM 30 F UNL d 1 27.936 7.411 -43.770 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 29.494 6.396 -42.331 0.00 0.00 0.046 A ATOM 32 C UNL d 1 30.271 5.291 -41.978 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8