REMARK VINA RESULT: -2.9 2.172 2.803 REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_6 and C_13 REMARK 2 A between atoms: N_8 and N_10 REMARK 3 A between atoms: C_13 and C_15 ROOT ATOM 1 O UNL d 1 -4.421 -17.209 3.658 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.540 -15.879 4.213 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.264 -16.039 5.654 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.805 -14.296 6.040 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.371 -16.407 3.147 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.139 -15.322 5.323 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -5.154 -16.459 4.607 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -4.594 -16.412 7.015 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.177 -16.424 4.299 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -1.054 -17.911 4.491 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -1.359 -18.625 6.032 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -1.038 -20.153 5.364 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -1.174 -21.562 6.334 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -0.693 -20.199 4.103 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -0.698 -18.909 3.602 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.843 -13.476 5.591 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -2.011 -12.785 4.571 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -0.811 -13.385 6.277 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3