REMARK VINA RESULT: -4.8 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 -1.385 -2.063 8.921 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -0.569 -0.432 10.434 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 0.118 -0.414 8.288 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 1.401 0.821 9.752 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -1.064 -1.786 10.273 0.00 0.00 0.314 C ATOM 6 C UNL d 1 0.380 0.049 9.556 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -0.256 -1.790 8.114 0.00 0.00 0.313 C ATOM 8 C UNL d 1 0.184 0.425 7.109 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.451 0.498 11.156 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.282 1.430 10.317 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.954 1.105 10.038 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.057 2.531 9.122 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -5.558 3.011 8.442 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -2.960 3.229 8.968 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -1.939 2.593 9.651 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 1.779 1.090 11.012 0.00 0.00 0.001 N ATOM 17 O UNL d 1 2.494 0.300 11.651 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 1.442 2.190 11.481 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3