REMARK VINA RESULT: -5.8 3.352 5.087 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 9.322 3.959 -11.853 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 11.499 3.791 -10.933 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 11.014 5.458 -12.370 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 13.260 5.070 -12.019 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 10.308 3.075 -11.347 0.00 0.00 0.314 C ATOM 6 C UNL d 1 12.029 4.758 -11.762 0.00 0.00 0.725 C ATOM 7 C UNL d 1 9.887 4.735 -12.891 0.00 0.00 0.313 C ATOM 8 C UNL d 1 11.014 6.900 -12.500 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 11.758 3.832 -9.485 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 11.969 2.510 -8.799 0.00 0.00 0.021 A ATOM 11 S UNL d 1 13.079 1.355 -9.441 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 12.714 0.316 -8.149 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 13.509 -1.198 -8.011 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 11.818 0.721 -7.285 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 11.387 1.981 -7.661 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 14.238 4.253 -11.601 0.00 0.00 0.001 N ATOM 17 O UNL d 1 14.530 3.222 -12.231 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 14.883 4.608 -10.599 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3