REMARK VINA RESULT: 6.2 4.191 6.670 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 20.251 2.526 -14.132 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 20.828 4.438 -15.408 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 18.944 3.298 -15.885 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 19.675 4.742 -17.528 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 21.318 3.319 -14.625 0.00 0.00 0.314 C ATOM 6 C UNL d 1 19.847 4.224 -16.352 0.00 0.00 0.725 C ATOM 7 C UNL d 1 19.435 2.126 -15.215 0.00 0.00 0.313 C ATOM 8 C UNL d 1 17.510 3.453 -16.019 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 21.006 5.771 -14.811 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 21.181 5.825 -13.318 0.00 0.00 0.021 A ATOM 11 S UNL d 1 22.239 6.983 -12.599 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 21.823 6.382 -11.067 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 22.488 7.094 -9.654 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 20.989 5.374 -11.021 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 20.623 5.051 -12.316 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 20.665 5.470 -18.067 0.00 0.00 0.001 N ATOM 17 O UNL d 1 21.740 4.946 -18.404 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 20.432 6.673 -18.277 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3