REMARK VINA RESULT: -6.1 2.374 5.858 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 -2.995 17.604 -13.407 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -4.122 15.692 -12.586 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -1.805 15.584 -16.898 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.041 15.612 -14.749 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -2.689 14.987 -15.988 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -1.209 16.785 -16.493 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.610 16.911 -14.486 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -1.678 17.455 -15.344 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -3.726 15.010 -13.678 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -3.775 16.973 -12.521 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -1.474 14.988 -18.105 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -1.877 15.717 -19.280 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.397 15.913 -19.450 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -4.408 14.750 -19.354 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -5.862 15.028 -19.348 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -6.463 14.960 -17.998 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -6.394 13.560 -17.370 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -7.053 12.583 -18.187 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -6.551 12.584 -19.530 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -6.594 13.995 -20.152 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 -0.167 17.456 -17.076 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 1.107 17.338 -16.465 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -3.852 13.608 -13.659 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -4.719 13.294 -13.258 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -2.818 12.664 -13.747 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -2.995 11.426 -14.387 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -1.958 10.492 -14.442 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -2.211 8.994 -15.253 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -0.744 10.779 -13.838 0.00 0.00 0.138 A ATOM 30 F UNL d 1 0.272 9.905 -13.887 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -0.559 11.982 -13.162 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -1.595 12.916 -13.109 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8