REMARK VINA RESULT: -3.5 3.512 4.461 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 9.906 -14.420 3.870 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 8.481 -14.840 5.716 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 9.231 -16.558 4.465 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 7.433 -17.032 5.828 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 8.860 -13.905 4.674 0.00 0.00 0.314 C ATOM 6 C UNL d 1 8.298 -16.169 5.397 0.00 0.00 0.725 C ATOM 7 C UNL d 1 9.519 -15.682 3.363 0.00 0.00 0.313 C ATOM 8 C UNL d 1 9.959 -17.807 4.547 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 8.823 -14.448 7.092 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 9.447 -13.091 7.273 0.00 0.00 0.021 A ATOM 11 S UNL d 1 11.158 -12.890 7.163 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 10.960 -11.227 7.443 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 12.325 -10.187 7.453 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 9.743 -10.791 7.644 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 8.873 -11.863 7.550 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 6.396 -16.600 6.563 0.00 0.00 0.001 N ATOM 17 O UNL d 1 5.479 -15.934 6.053 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 6.360 -16.955 7.753 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3