REMARK VINA RESULT: -3.7 2.075 2.742 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 5.709 -15.995 6.360 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 7.955 -16.616 6.792 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 6.692 -17.867 5.408 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 8.613 -18.878 6.187 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 6.764 -15.967 7.306 0.00 0.00 0.314 C ATOM 6 C UNL d 1 7.840 -17.838 6.164 0.00 0.00 0.725 C ATOM 7 C UNL d 1 5.480 -17.333 5.964 0.00 0.00 0.313 C ATOM 8 C UNL d 1 6.644 -18.398 4.061 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 9.096 -15.735 6.500 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 9.158 -15.146 5.118 0.00 0.00 0.021 A ATOM 11 S UNL d 1 9.629 -16.116 3.770 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 9.410 -14.773 2.754 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 9.663 -14.924 1.063 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 9.047 -13.647 3.313 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 8.906 -13.860 4.673 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 9.606 -18.929 7.087 0.00 0.00 0.001 N ATOM 17 O UNL d 1 10.793 -18.787 6.746 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 9.282 -19.052 8.281 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3