REMARK VINA RESULT: -4.0 2.491 2.730 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 16.224 43.130 24.124 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 14.190 42.408 25.101 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 15.896 43.063 26.419 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 14.234 41.859 27.470 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 15.095 42.287 23.974 0.00 0.00 0.314 C ATOM 6 C UNL d 1 14.699 42.387 26.382 0.00 0.00 0.725 C ATOM 7 C UNL d 1 16.846 42.851 25.363 0.00 0.00 0.313 C ATOM 8 C UNL d 1 16.244 44.001 27.467 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 12.899 43.057 24.827 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 12.813 44.534 25.100 0.00 0.00 0.021 A ATOM 11 S UNL d 1 12.129 45.115 26.574 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 12.442 46.705 26.069 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 12.053 48.026 27.093 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 12.984 46.867 24.889 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 13.194 45.618 24.330 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 13.190 41.020 27.390 0.00 0.00 0.001 N ATOM 17 O UNL d 1 13.253 39.976 26.719 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 12.187 41.298 28.070 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3