REMARK VINA RESULT: -7.0 2.179 5.249 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 -5.990 -0.711 1.313 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -5.927 -1.242 3.618 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -5.770 -4.767 0.223 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -5.907 -3.018 1.976 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.921 -4.390 1.565 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.514 -3.735 -0.690 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -5.884 -2.012 1.013 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.653 -2.389 -0.293 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -5.821 -2.546 3.298 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -6.051 -0.386 2.610 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -5.798 -6.093 -0.179 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.682 -6.890 0.262 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -3.405 -6.774 -0.594 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -2.249 -5.810 -0.250 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -2.091 -5.303 1.132 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -2.259 -3.838 1.239 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -1.188 -3.044 0.475 0.00 0.00 0.198 C ATOM 18 O UNL d 1 0.132 -3.364 0.933 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 0.387 -4.774 0.887 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -0.703 -5.574 1.631 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 -5.119 -3.836 -1.997 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -3.908 -3.196 -2.363 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.435 -3.444 4.312 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -6.091 -3.487 5.072 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -4.144 -3.933 4.563 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -3.869 -5.309 4.614 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -2.581 -5.774 4.888 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -2.282 -7.469 4.925 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -1.563 -4.865 5.135 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -0.315 -5.285 5.389 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -1.821 -3.498 5.130 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -3.108 -3.034 4.854 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8