REMARK VINA RESULT: -9.1 4.321 8.722 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 -0.830 -1.571 6.306 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 0.804 -2.592 4.933 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.691 -5.259 7.090 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -0.869 -3.956 6.027 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -1.479 -5.200 6.387 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -3.325 -4.036 7.345 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -1.409 -2.762 6.499 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -2.641 -2.824 7.116 0.00 0.00 0.072 C ATOM 9 C UNL d 1 0.208 -3.783 5.139 0.00 0.00 0.142 C ATOM 10 C UNL d 1 0.282 -1.545 5.562 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -3.275 -6.462 7.453 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -3.593 -6.592 8.852 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -5.036 -7.034 9.166 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -5.995 -6.203 10.045 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -6.783 -6.861 11.113 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -7.500 -5.904 11.982 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -6.563 -4.987 12.784 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -5.671 -5.742 13.614 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -4.938 -6.719 12.862 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -5.877 -7.622 12.035 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 -4.594 -3.818 7.809 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.739 -2.967 8.934 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 0.569 -4.854 4.298 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -0.203 -5.216 3.766 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 1.698 -5.677 4.415 0.00 0.00 0.035 A ATOM 26 C UNL d 1 1.832 -6.611 5.457 0.00 0.00 0.056 A ATOM 27 C UNL d 1 2.975 -7.404 5.567 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 3.092 -8.549 6.848 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.004 -7.256 4.649 0.00 0.00 0.138 A ATOM 30 F UNL d 1 5.107 -8.014 4.725 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 3.911 -6.309 3.633 0.00 0.00 0.046 A ATOM 32 C UNL d 1 2.767 -5.517 3.522 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8