REMARK VINA RESULT: -3.6 1.423 1.720 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 -3.188 -17.360 2.761 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.270 -15.950 4.428 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.431 -15.722 3.832 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.531 -13.951 5.003 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.012 -16.725 3.230 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.372 -15.123 4.474 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.198 -16.387 2.581 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -5.777 -15.732 4.366 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.678 -16.466 5.672 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.142 -17.822 6.129 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -1.049 -19.156 6.174 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.301 -20.137 6.769 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -1.998 -21.781 7.153 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.479 -19.586 6.916 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -3.389 -18.256 6.545 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -2.450 -13.281 5.431 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -2.186 -13.191 6.642 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -1.691 -12.817 4.562 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3