REMARK VINA RESULT: -4.5 2.640 3.693 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 -1.297 1.912 11.302 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -0.408 0.618 9.526 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -0.202 -0.103 11.651 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 1.182 -1.125 10.117 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -0.737 1.949 10.000 0.00 0.00 0.314 C ATOM 6 C UNL d 1 0.257 -0.252 10.364 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -0.414 1.223 12.164 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -0.504 -1.222 12.520 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -1.234 0.101 8.425 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -2.687 -0.145 8.728 0.00 0.00 0.021 A ATOM 11 S UNL d 1 -3.205 -1.659 9.375 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 -4.799 -1.076 9.409 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 -6.063 -2.062 10.021 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 -5.008 0.134 8.957 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -3.794 0.668 8.562 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 1.779 -1.116 8.916 0.00 0.00 0.001 N ATOM 17 O UNL d 1 2.601 -0.234 8.612 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 1.527 -2.063 8.151 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3