REMARK VINA RESULT: -7.3 3.274 5.847 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 -6.767 -5.497 0.339 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -5.900 -5.162 -1.837 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -5.758 -1.584 1.504 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -5.863 -3.348 -0.236 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.614 -1.998 0.172 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -6.071 -2.582 2.436 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.397 -4.255 0.675 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -6.456 -3.865 1.997 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.534 -3.915 -1.481 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -6.540 -5.882 -0.923 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -5.532 -0.275 1.899 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.282 -0.046 2.576 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.017 -0.417 1.776 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.083 -1.579 2.175 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -2.621 -2.747 2.908 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -1.777 -3.159 4.051 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -0.382 -3.649 3.632 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.462 -4.760 2.730 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -1.282 -4.466 1.591 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -2.673 -3.947 2.010 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 -6.057 -2.502 3.803 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -5.791 -3.694 4.523 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -4.640 -3.226 -2.323 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -5.094 -2.783 -3.103 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -3.254 -3.416 -2.422 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -2.347 -2.703 -1.620 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -0.970 -2.892 -1.752 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 0.107 -2.012 -0.737 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.488 -3.779 -2.703 0.00 0.00 0.138 A ATOM 30 F UNL d 1 0.830 -3.987 -2.842 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -1.366 -4.465 -3.537 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -2.743 -4.277 -3.403 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8