REMARK VINA RESULT: -5.0 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 -2.855 -2.643 5.972 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -1.128 -4.240 5.681 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -0.607 -2.086 6.092 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 1.110 -3.384 5.264 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.484 -3.855 5.338 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -0.127 -3.293 5.639 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -1.903 -1.647 5.655 0.00 0.00 0.313 C ATOM 8 C UNL d 1 0.125 -1.236 7.008 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -0.990 -5.429 6.534 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.254 -5.981 7.134 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -2.980 -5.222 8.504 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.219 -6.383 8.465 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -5.506 -6.306 9.598 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -4.144 -7.313 7.548 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -3.012 -7.085 6.786 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 1.513 -4.491 4.623 0.00 0.00 0.001 N ATOM 17 O UNL d 1 0.795 -5.039 3.769 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 2.661 -4.901 4.868 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3