REMARK VINA RESULT: -8.5 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 -6.993 -1.962 4.801 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -7.969 -1.609 2.674 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -5.024 -5.436 3.486 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -6.472 -3.480 3.015 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -5.718 -4.618 2.584 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -5.180 -5.138 4.846 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -6.414 -3.080 4.348 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -5.799 -3.934 5.239 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -7.378 -2.738 2.235 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -7.714 -1.248 3.927 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -4.280 -6.530 3.070 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -2.872 -6.461 3.363 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -2.101 -5.331 2.652 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -1.479 -4.137 3.407 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -0.151 -4.272 4.047 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -0.200 -4.974 5.348 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -1.005 -4.219 6.418 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -0.472 -2.909 6.652 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -0.365 -2.151 5.439 0.00 0.00 0.198 C ATOM 20 C UNL d 1 0.419 -2.920 4.355 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 -4.801 -5.886 5.929 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -4.699 -5.221 7.176 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -7.823 -3.282 1.015 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -8.362 -4.123 1.130 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -7.296 -3.039 -0.262 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -7.477 -1.811 -0.919 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -6.962 -1.600 -2.200 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -7.191 -0.073 -2.963 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -6.283 -2.623 -2.843 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -5.769 -2.442 -4.069 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -6.127 -3.862 -2.229 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -6.640 -4.072 -0.947 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8