REMARK VINA RESULT: -4.7 1.905 5.461 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 31.041 9.224 32.506 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 32.509 8.242 34.081 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 31.894 6.264 29.644 0.00 0.00 0.103 C ATOM 4 C UNL d 1 32.190 7.198 31.922 0.00 0.00 0.042 C ATOM 5 C UNL d 1 32.388 6.163 30.952 0.00 0.00 0.057 C ATOM 6 C UNL d 1 31.273 7.474 29.303 0.00 0.00 0.103 C ATOM 7 C UNL d 1 31.369 8.281 31.615 0.00 0.00 0.075 C ATOM 8 C UNL d 1 30.958 8.414 30.305 0.00 0.00 0.072 C ATOM 9 C UNL d 1 32.827 7.300 33.172 0.00 0.00 0.142 C ATOM 10 C UNL d 1 31.596 9.137 33.722 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 32.071 5.257 28.708 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 33.220 4.416 28.922 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 34.122 4.200 27.691 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 35.513 4.855 27.544 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 36.021 5.763 28.597 0.00 0.00 0.092 N ATOM 16 C UNL d 1 35.613 7.171 28.400 0.00 0.00 0.298 C ATOM 17 C UNL d 1 36.185 7.799 27.121 0.00 0.00 0.198 C ATOM 18 O UNL d 1 37.619 7.758 27.110 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 38.117 6.429 27.314 0.00 0.00 0.198 C ATOM 20 C UNL d 1 37.521 5.787 28.584 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 30.902 7.918 28.062 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 29.623 7.533 27.588 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 33.961 6.502 33.419 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 33.786 5.759 34.073 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 35.302 6.847 33.199 0.00 0.00 0.035 A ATOM 26 C UNL d 1 36.284 6.684 34.191 0.00 0.00 0.056 A ATOM 27 C UNL d 1 37.609 7.055 33.957 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 38.785 6.823 35.194 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 37.960 7.612 32.736 0.00 0.00 0.138 A ATOM 30 F UNL d 1 39.228 7.966 32.482 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 36.997 7.820 31.754 0.00 0.00 0.046 A ATOM 32 C UNL d 1 35.672 7.448 31.987 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8