REMARK VINA RESULT: 15.8 3.552 8.015 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 21.140 -8.990 3.685 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 22.146 -7.034 2.812 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 17.753 -8.518 1.238 0.00 0.00 0.103 C ATOM 4 C UNL d 1 20.001 -7.763 1.963 0.00 0.00 0.042 C ATOM 5 C UNL d 1 18.872 -7.686 1.086 0.00 0.00 0.057 C ATOM 6 C UNL d 1 17.756 -9.370 2.350 0.00 0.00 0.103 C ATOM 7 C UNL d 1 20.067 -8.780 2.912 0.00 0.00 0.075 C ATOM 8 C UNL d 1 18.932 -9.538 3.109 0.00 0.00 0.072 C ATOM 9 C UNL d 1 21.058 -6.839 2.042 0.00 0.00 0.142 C ATOM 10 C UNL d 1 22.156 -8.127 3.568 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 16.665 -8.455 0.382 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 16.730 -9.332 -0.758 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 16.532 -8.654 -2.129 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 17.195 -9.170 -3.424 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 17.019 -8.430 -4.694 0.00 0.00 0.092 N ATOM 16 C UNL d 1 18.270 -8.304 -5.474 0.00 0.00 0.298 C ATOM 17 C UNL d 1 19.352 -7.478 -4.760 0.00 0.00 0.198 C ATOM 18 O UNL d 1 18.892 -6.154 -4.461 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 17.665 -6.169 -3.720 0.00 0.00 0.198 C ATOM 20 C UNL d 1 16.587 -7.021 -4.421 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 16.722 -10.116 2.852 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 16.586 -11.444 2.374 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 20.901 -5.579 1.432 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 19.939 -5.309 1.324 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 21.840 -4.898 0.644 0.00 0.00 0.035 A ATOM 26 C UNL d 1 21.901 -5.064 -0.750 0.00 0.00 0.056 A ATOM 27 C UNL d 1 22.859 -4.392 -1.512 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 22.887 -4.609 -3.220 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 23.779 -3.567 -0.883 0.00 0.00 0.138 A ATOM 30 F UNL d 1 24.702 -2.901 -1.593 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 23.765 -3.419 0.500 0.00 0.00 0.046 A ATOM 32 C UNL d 1 22.805 -4.090 1.261 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8