REMARK VINA RESULT: -4.2 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 -2.844 -17.251 2.998 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.336 -15.966 4.928 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.985 -16.511 3.492 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -5.474 -14.810 4.970 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.341 -16.307 3.928 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -4.624 -15.682 4.529 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.041 -16.753 2.436 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -6.272 -17.171 3.417 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.070 -16.445 6.293 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.038 -17.935 6.493 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -1.534 -18.778 6.578 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -2.383 -20.229 6.811 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -1.528 -21.699 7.046 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -3.691 -20.170 6.805 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -4.067 -18.851 6.618 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -5.051 -13.864 5.823 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -4.315 -12.938 5.443 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -5.483 -13.918 6.987 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3