REMARK VINA RESULT: -6.1 0.000 0.000 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 10.011 -14.007 3.986 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 9.376 -15.914 2.737 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 10.250 -16.234 7.544 0.00 0.00 0.103 C ATOM 4 C UNL d 1 9.856 -16.130 5.098 0.00 0.00 0.042 C ATOM 5 C UNL d 1 10.032 -16.868 6.312 0.00 0.00 0.057 C ATOM 6 C UNL d 1 10.196 -14.834 7.544 0.00 0.00 0.103 C ATOM 7 C UNL d 1 10.040 -14.749 5.099 0.00 0.00 0.075 C ATOM 8 C UNL d 1 10.171 -14.128 6.324 0.00 0.00 0.072 C ATOM 9 C UNL d 1 9.411 -16.645 3.868 0.00 0.00 0.142 C ATOM 10 C UNL d 1 9.720 -14.635 2.840 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 10.436 -16.947 8.718 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 11.740 -17.538 8.877 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 12.711 -16.763 9.789 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 13.567 -15.579 9.290 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 14.043 -14.552 10.243 0.00 0.00 0.092 N ATOM 16 C UNL d 1 13.263 -13.296 10.186 0.00 0.00 0.298 C ATOM 17 C UNL d 1 13.376 -12.569 8.838 0.00 0.00 0.198 C ATOM 18 O UNL d 1 14.738 -12.248 8.525 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 15.585 -13.404 8.574 0.00 0.00 0.198 C ATOM 20 C UNL d 1 15.451 -14.150 9.917 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 10.157 -13.986 8.618 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 8.899 -13.772 9.234 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 8.813 -17.920 3.846 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 9.412 -18.631 3.463 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 7.443 -18.213 3.905 0.00 0.00 0.035 A ATOM 26 C UNL d 1 6.662 -17.891 5.028 0.00 0.00 0.056 A ATOM 27 C UNL d 1 5.304 -18.214 5.074 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 4.380 -17.786 6.462 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.721 -18.881 4.007 0.00 0.00 0.138 A ATOM 30 F UNL d 1 3.417 -19.191 4.022 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 5.484 -19.246 2.902 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.841 -18.922 2.856 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8