REMARK VINA RESULT: -4.5 0.000 0.000 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 14.870 45.752 24.473 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 13.901 43.686 25.111 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 15.948 44.246 25.869 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 15.387 42.020 26.077 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 13.990 44.710 24.088 0.00 0.00 0.314 C ATOM 6 C UNL d 1 15.057 43.214 25.696 0.00 0.00 0.725 C ATOM 7 C UNL d 1 16.127 45.195 24.805 0.00 0.00 0.313 C ATOM 8 C UNL d 1 16.710 44.440 27.085 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 12.618 43.594 25.824 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 12.543 44.261 27.170 0.00 0.00 0.021 A ATOM 11 S UNL d 1 12.611 43.326 28.619 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 12.494 44.757 29.525 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 12.534 44.696 31.239 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 12.378 45.880 28.864 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 12.402 45.595 27.510 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 14.615 40.985 25.711 0.00 0.00 0.001 N ATOM 17 O UNL d 1 14.615 40.564 24.542 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 13.957 40.426 26.605 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3