REMARK VINA RESULT: -7.6 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 -0.414 -4.503 -1.772 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 0.932 -4.866 0.140 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -2.368 -1.250 0.040 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -0.644 -3.031 0.112 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -1.272 -1.866 0.660 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -2.879 -1.885 -1.100 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -1.033 -3.496 -1.143 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -2.161 -2.937 -1.704 0.00 0.00 0.072 C ATOM 9 C UNL d 1 0.299 -3.850 0.758 0.00 0.00 0.142 C ATOM 10 C UNL d 1 0.576 -5.119 -1.115 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -2.968 -0.114 0.560 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -3.057 -0.071 1.997 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -4.487 -0.086 2.573 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -5.007 -1.206 3.499 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -5.984 -2.196 2.992 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -6.401 -3.181 4.014 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -5.252 -4.075 4.503 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -4.652 -4.801 3.422 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -4.230 -3.931 2.363 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -5.376 -3.012 1.891 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 -4.050 -1.629 -1.762 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -5.071 -2.609 -1.682 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 0.464 -3.722 2.151 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 1.375 -3.388 2.411 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -0.290 -4.349 3.153 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -0.585 -5.722 3.112 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -1.357 -6.320 4.110 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -1.680 -8.010 4.031 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -1.859 -5.546 5.145 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -2.593 -6.099 6.122 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -1.615 -4.177 5.185 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -0.842 -3.579 4.188 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8