REMARK VINA RESULT: -4.0 2.254 3.159 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 0.514 -1.193 6.062 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -1.125 -2.845 6.509 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 0.437 -3.214 4.928 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.400 -4.607 4.855 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -0.813 -1.428 6.499 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -0.779 -3.621 5.423 0.00 0.00 0.725 C ATOM 7 C UNL d 1 0.701 -1.808 4.802 0.00 0.00 0.313 C ATOM 8 C UNL d 1 1.482 -4.138 4.538 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.296 -3.459 7.835 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.689 -3.888 8.206 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.000 -5.501 8.734 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.639 -5.101 8.928 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -5.746 -6.270 9.521 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.003 -3.885 8.611 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -3.883 -3.188 8.192 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -2.673 -4.856 5.197 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.589 -4.079 4.879 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.902 -5.928 5.782 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3