REMARK VINA RESULT: -4.6 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 -3.587 14.444 -12.666 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.959 13.173 -14.632 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.711 15.047 -14.727 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.467 14.252 -16.755 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.482 13.577 -13.340 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.413 14.125 -15.467 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.285 15.540 -13.506 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.403 15.539 -15.109 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.563 11.762 -14.755 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.207 11.391 -14.221 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -1.495 9.869 -14.614 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -0.130 10.294 -13.699 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 1.206 9.221 -13.596 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -0.148 11.454 -13.093 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -1.344 12.083 -13.390 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -4.325 13.487 -17.447 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -5.438 13.186 -16.983 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -3.987 13.155 -18.596 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3