REMARK VINA RESULT: -3.5 3.666 4.572 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 10.043 -14.376 4.098 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 8.416 -14.545 5.812 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 9.484 -16.394 5.094 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 7.561 -16.767 6.310 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 8.853 -13.824 4.632 0.00 0.00 0.314 C ATOM 6 C UNL d 1 8.398 -15.924 5.793 0.00 0.00 0.725 C ATOM 7 C UNL d 1 9.846 -15.755 3.859 0.00 0.00 0.313 C ATOM 8 C UNL d 1 10.302 -17.500 5.551 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 8.524 -13.822 7.088 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 9.855 -13.194 7.399 0.00 0.00 0.021 A ATOM 11 S UNL d 1 9.995 -11.486 7.603 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 11.654 -11.679 7.911 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 12.624 -10.314 8.285 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 12.141 -12.892 7.850 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 11.107 -13.763 7.552 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 6.397 -16.310 6.797 0.00 0.00 0.001 N ATOM 17 O UNL d 1 5.479 -15.952 6.039 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 6.253 -16.329 8.031 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3