REMARK VINA RESULT: -3.5 3.624 5.265 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 -1.514 -14.079 5.260 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.154 -16.359 5.163 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -3.265 -14.939 6.514 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.592 -17.180 6.943 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -1.067 -15.406 5.041 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.020 -16.261 6.231 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -2.166 -14.013 6.513 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -4.588 -14.421 6.799 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -2.581 -17.014 3.917 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -3.667 -16.331 3.132 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -5.313 -16.428 3.643 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -5.759 -15.457 2.323 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.399 -15.004 2.103 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -4.809 -15.079 1.506 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -3.607 -15.585 1.969 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -3.186 -18.452 6.810 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -2.044 -18.802 7.155 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -4.022 -19.273 6.396 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3