REMARK VINA RESULT: -3.7 3.928 5.102 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 9.442 -9.347 -6.188 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 8.413 -7.946 -4.578 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 8.430 -10.178 -4.274 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 6.926 -9.010 -2.975 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 8.758 -8.124 -5.976 0.00 0.00 0.314 C ATOM 6 C UNL d 1 7.851 -8.995 -3.882 0.00 0.00 0.725 C ATOM 7 C UNL d 1 8.662 -10.408 -5.673 0.00 0.00 0.313 C ATOM 8 C UNL d 1 8.839 -11.208 -3.341 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 9.139 -6.885 -3.864 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 9.761 -5.805 -4.707 0.00 0.00 0.021 A ATOM 11 S UNL d 1 9.163 -5.476 -6.292 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 10.318 -4.242 -6.450 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 10.375 -3.293 -7.879 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 11.141 -4.056 -5.450 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 10.823 -4.957 -4.449 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 6.215 -7.894 -2.754 0.00 0.00 0.001 N ATOM 17 O UNL d 1 5.333 -7.525 -3.548 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 6.428 -7.289 -1.690 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3