REMARK VINA RESULT: -7.3 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 8.891 -10.228 -5.348 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 8.503 -9.279 -3.215 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 9.175 -6.437 -7.146 0.00 0.00 0.103 C ATOM 4 C UNL d 1 8.889 -7.837 -5.119 0.00 0.00 0.042 C ATOM 5 C UNL d 1 9.078 -6.567 -5.753 0.00 0.00 0.057 C ATOM 6 C UNL d 1 8.986 -7.606 -7.896 0.00 0.00 0.103 C ATOM 7 C UNL d 1 8.939 -9.002 -5.882 0.00 0.00 0.075 C ATOM 8 C UNL d 1 8.951 -8.860 -7.254 0.00 0.00 0.072 C ATOM 9 C UNL d 1 8.554 -8.052 -3.770 0.00 0.00 0.142 C ATOM 10 C UNL d 1 8.717 -10.311 -4.023 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 9.373 -5.211 -7.761 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 8.508 -4.152 -7.308 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 9.129 -2.740 -7.317 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 10.653 -2.495 -7.347 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 11.317 -1.801 -6.220 0.00 0.00 0.092 N ATOM 16 C UNL d 1 12.791 -1.776 -6.337 0.00 0.00 0.298 C ATOM 17 C UNL d 1 13.430 -3.172 -6.284 0.00 0.00 0.198 C ATOM 18 O UNL d 1 13.103 -3.856 -5.066 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 11.686 -3.915 -4.851 0.00 0.00 0.198 C ATOM 20 C UNL d 1 11.040 -2.516 -4.932 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 8.816 -7.728 -9.249 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 9.309 -8.906 -9.864 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 8.083 -6.965 -3.009 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 8.817 -6.347 -2.708 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 6.862 -6.877 -2.325 0.00 0.00 0.035 A ATOM 26 C UNL d 1 5.757 -7.671 -2.674 0.00 0.00 0.056 A ATOM 27 C UNL d 1 4.543 -7.549 -1.994 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 3.218 -8.554 -2.441 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 4.418 -6.617 -0.975 0.00 0.00 0.138 A ATOM 30 F UNL d 1 3.267 -6.489 -0.299 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 5.487 -5.791 -0.640 0.00 0.00 0.046 A ATOM 32 C UNL d 1 6.701 -5.914 -1.319 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8