REMARK VINA RESULT: -7.8 2.946 5.794 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 -1.950 -8.478 -0.223 0.00 0.00 -0.241 NA ATOM 2 N UNL d 1 -3.695 -7.637 -1.582 0.00 0.00 -0.224 NA ATOM 3 C UNL d 1 -3.484 -6.559 3.190 0.00 0.00 0.103 C ATOM 4 C UNL d 1 -3.662 -7.127 0.784 0.00 0.00 0.042 C ATOM 5 C UNL d 1 -4.199 -6.562 1.984 0.00 0.00 0.057 C ATOM 6 C UNL d 1 -2.175 -7.058 3.141 0.00 0.00 0.103 C ATOM 7 C UNL d 1 -2.455 -7.821 0.829 0.00 0.00 0.075 C ATOM 8 C UNL d 1 -1.722 -7.742 1.994 0.00 0.00 0.072 C ATOM 9 C UNL d 1 -4.189 -6.982 -0.513 0.00 0.00 0.142 C ATOM 10 C UNL d 1 -2.621 -8.391 -1.378 0.00 0.00 0.236 C ENDROOT BRANCH 3 11 ATOM 11 O UNL d 1 -4.007 -6.025 4.358 0.00 0.00 -0.348 OA BRANCH 11 12 ATOM 12 C UNL d 1 -4.249 -4.606 4.328 0.00 0.00 0.177 C BRANCH 12 13 ATOM 13 C UNL d 1 -5.718 -4.180 4.518 0.00 0.00 0.057 C BRANCH 13 14 ATOM 14 C UNL d 1 -6.755 -4.210 3.374 0.00 0.00 0.274 C BRANCH 14 15 ATOM 15 N UNL d 1 -7.713 -3.093 3.210 0.00 0.00 0.092 N ATOM 16 C UNL d 1 -8.610 -3.261 2.046 0.00 0.00 0.298 C ATOM 17 C UNL d 1 -7.870 -3.259 0.700 0.00 0.00 0.198 C ATOM 18 O UNL d 1 -7.132 -2.045 0.507 0.00 0.00 -0.388 OA ATOM 19 C UNL d 1 -6.241 -1.781 1.599 0.00 0.00 0.198 C ATOM 20 C UNL d 1 -6.979 -1.811 2.954 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 -1.198 -6.976 4.097 0.00 0.00 -0.353 OA ATOM 22 C UNL d 1 -0.561 -5.722 4.271 0.00 0.00 0.210 C ENDBRANCH 6 21 BRANCH 9 23 ATOM 23 N UNL d 1 -5.157 -5.985 -0.741 0.00 0.00 -0.340 N ATOM 24 H UNL d 1 -6.076 -6.358 -0.910 0.00 0.00 0.167 HD BRANCH 23 25 ATOM 25 C UNL d 1 -4.929 -4.660 -1.139 0.00 0.00 0.035 A ATOM 26 C UNL d 1 -5.585 -4.094 -2.245 0.00 0.00 0.056 A ATOM 27 C UNL d 1 -5.325 -2.779 -2.638 0.00 0.00 0.074 A ATOM 28 CL UNL d 1 -6.164 -2.118 -3.988 0.00 0.00 -0.081 Cl ATOM 29 C UNL d 1 -4.391 -2.028 -1.941 0.00 0.00 0.138 A ATOM 30 F UNL d 1 -4.132 -0.759 -2.290 0.00 0.00 -0.204 F ATOM 31 C UNL d 1 -3.699 -2.581 -0.868 0.00 0.00 0.046 A ATOM 32 C UNL d 1 -3.960 -3.895 -0.475 0.00 0.00 0.032 A ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 8