REMARK VINA RESULT: -4.4 0.000 0.000 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 9.009 -14.136 8.236 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 8.827 -16.282 7.246 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 7.085 -14.856 7.160 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 6.590 -17.060 6.695 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 9.439 -15.485 8.293 0.00 0.00 0.314 C ATOM 6 C UNL d 1 7.473 -16.167 7.013 0.00 0.00 0.725 C ATOM 7 C UNL d 1 7.596 -14.100 8.270 0.00 0.00 0.313 C ATOM 8 C UNL d 1 6.192 -14.186 6.237 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 9.727 -16.746 6.178 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 9.769 -15.919 4.922 0.00 0.00 0.021 A ATOM 11 S UNL d 1 9.308 -16.602 3.406 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 9.615 -15.106 2.662 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 9.339 -14.909 0.980 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 10.060 -14.137 3.420 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 10.152 -14.605 4.719 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 6.924 -18.357 6.768 0.00 0.00 0.001 N ATOM 17 O UNL d 1 7.000 -18.942 7.861 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 7.082 -18.961 5.693 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3