REMARK VINA RESULT: -4.5 2.390 2.741 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 2.042 -2.002 9.527 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 1.190 -0.385 11.036 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 1.381 0.114 8.847 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 1.105 1.918 10.257 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 2.070 -1.525 10.861 0.00 0.00 0.314 C ATOM 6 C UNL d 1 1.214 0.635 10.108 0.00 0.00 0.725 C ATOM 7 C UNL d 1 2.342 -0.935 8.650 0.00 0.00 0.313 C ATOM 8 C UNL d 1 0.618 0.560 7.699 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -0.010 -0.614 11.856 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -1.297 -0.858 11.117 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -2.438 0.418 10.895 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -3.439 -0.654 10.039 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -4.920 -0.100 9.370 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.032 -1.891 9.917 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -1.802 -2.010 10.540 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 1.164 2.435 11.494 0.00 0.00 0.001 N ATOM 17 O UNL d 1 2.252 2.606 12.069 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 0.092 2.799 12.006 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3