REMARK VINA RESULT: -4.7 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 8.033 -10.402 -4.018 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 8.040 -8.043 -4.239 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 8.930 -9.324 -5.865 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 9.515 -7.094 -5.924 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 8.071 -9.168 -3.323 0.00 0.00 0.314 C ATOM 6 C UNL d 1 8.859 -8.052 -5.348 0.00 0.00 0.725 C ATOM 7 C UNL d 1 9.083 -10.432 -4.964 0.00 0.00 0.313 C ATOM 8 C UNL d 1 8.839 -9.609 -7.282 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 6.809 -7.237 -4.231 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 6.250 -6.870 -2.884 0.00 0.00 0.021 A ATOM 11 S UNL d 1 4.648 -7.336 -2.442 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 4.872 -6.598 -0.930 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 3.625 -6.652 0.248 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 6.017 -6.002 -0.714 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 6.808 -6.156 -1.839 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 9.622 -5.912 -5.298 0.00 0.00 0.001 N ATOM 17 O UNL d 1 10.086 -5.833 -4.148 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 9.303 -4.899 -5.944 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3