REMARK VINA RESULT: -4.0 3.682 5.238 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 -3.603 -1.865 8.102 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -2.499 -3.664 7.023 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -4.407 -4.040 8.161 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.155 -5.913 7.674 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -2.352 -2.378 7.678 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -3.298 -4.628 7.600 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -4.244 -2.828 8.915 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -5.746 -4.573 8.016 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -2.237 -3.685 5.576 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -0.816 -3.930 5.149 0.00 0.00 0.021 A ATOM 11 S UNL d 1 0.374 -2.690 5.306 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 1.537 -3.754 4.674 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 3.170 -3.250 4.520 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 1.133 -4.948 4.323 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -0.221 -5.048 4.592 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -1.979 -6.456 7.324 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -0.911 -6.043 7.807 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -2.012 -7.432 6.555 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3