REMARK VINA RESULT: -3.8 2.291 3.392 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 -5.079 -3.543 4.001 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.627 -2.323 5.422 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -2.777 -3.540 3.727 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -1.265 -2.898 5.346 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -4.889 -3.030 5.308 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.484 -2.894 4.905 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -3.967 -4.342 3.652 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -1.950 -3.440 2.542 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -3.717 -0.864 5.591 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -4.906 -0.184 4.970 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -4.733 0.737 3.520 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -6.399 1.064 3.553 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -7.118 1.992 2.301 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -7.088 0.583 4.556 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -6.229 -0.132 5.373 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.025 -2.462 6.592 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -1.099 -3.228 7.567 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -0.656 -1.281 6.716 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3