REMARK VINA RESULT: -4.0 2.884 4.715 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 -2.174 11.491 -16.063 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 -3.003 13.492 -15.101 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 -1.793 12.063 -13.848 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 -3.004 13.635 -12.674 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 -3.210 12.458 -16.097 0.00 0.00 0.314 C ATOM 6 C UNL d 1 -2.655 13.133 -13.816 0.00 0.00 0.725 C ATOM 7 C UNL d 1 -2.064 10.978 -14.750 0.00 0.00 0.313 C ATOM 8 C UNL d 1 -0.604 11.980 -13.025 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 -2.660 14.826 -15.618 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 -1.306 14.977 -16.255 0.00 0.00 0.021 A ATOM 11 S UNL d 1 0.127 14.932 -15.294 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 1.054 15.134 -16.702 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 2.767 15.159 -16.609 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 0.410 15.264 -17.834 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 -0.947 15.178 -17.576 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 -4.006 14.526 -12.635 0.00 0.00 0.001 N ATOM 17 O UNL d 1 -5.085 14.307 -13.212 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 -3.833 15.542 -11.940 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3