REMARK VINA RESULT: -5.1 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 -5.066 -2.985 -0.203 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -5.020 -2.216 2.038 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.144 -2.152 0.792 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -2.833 -1.935 3.066 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -5.629 -3.128 1.089 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.647 -2.092 2.070 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.663 -3.138 -0.114 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -2.120 -1.252 0.300 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -5.875 -1.121 2.523 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -7.188 -1.514 3.143 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -7.230 -2.351 4.652 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -8.927 -2.350 4.582 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -9.842 -3.033 5.863 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -9.486 -1.812 3.528 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -8.485 -1.334 2.699 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -3.298 -2.097 4.315 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -3.980 -3.089 4.624 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.957 -1.252 5.159 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3