REMARK VINA RESULT: -6.1 3.636 5.873 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 1 114.937 85.474 54.674 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 113.705 86.608 52.996 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 115.094 87.764 54.342 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 113.556 89.028 53.180 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 113.743 85.481 53.910 0.00 0.00 0.314 C ATOM 6 C UNL d 1 114.048 87.862 53.455 0.00 0.00 0.725 C ATOM 7 C UNL d 1 115.073 86.719 55.329 0.00 0.00 0.313 C ATOM 8 C UNL d 1 116.235 88.656 54.323 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 113.822 86.283 51.566 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 112.585 85.758 50.890 0.00 0.00 0.021 A ATOM 11 S UNL d 1 112.160 84.090 51.010 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 110.779 84.395 50.070 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 109.678 83.126 49.721 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 110.603 85.617 49.638 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 111.643 86.401 50.106 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 112.405 89.101 52.493 0.00 0.00 0.001 N ATOM 17 O UNL d 1 111.319 88.819 53.025 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 112.469 89.530 51.328 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3