REMARK VINA RESULT: 4.7 1.546 1.958 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 21.902 3.859 -11.254 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 21.105 5.954 -12.024 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 22.942 5.862 -10.724 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 21.958 7.939 -10.909 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 20.757 4.598 -11.643 0.00 0.00 0.314 C ATOM 6 C UNL d 1 21.959 6.682 -11.224 0.00 0.00 0.725 C ATOM 7 C UNL d 1 22.579 4.562 -10.232 0.00 0.00 0.313 C ATOM 8 C UNL d 1 24.341 6.237 -10.682 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 20.968 6.278 -13.452 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 20.540 5.159 -14.362 0.00 0.00 0.021 A ATOM 11 S UNL d 1 20.906 5.209 -16.048 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 20.147 3.702 -16.237 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 20.105 2.947 -17.777 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 19.611 3.160 -15.173 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 19.834 4.000 -14.096 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 20.885 8.684 -11.215 0.00 0.00 0.001 N ATOM 17 O UNL d 1 19.747 8.361 -10.834 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 21.090 9.744 -11.831 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3