REMARK VINA RESULT: -5.6 3.012 4.025 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 34.880 76.250 107.255 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 33.113 75.526 105.852 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 34.364 74.009 106.954 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 33.099 73.179 105.214 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 34.116 76.545 106.099 0.00 0.00 0.314 C ATOM 6 C UNL d 1 33.470 74.196 105.927 0.00 0.00 0.725 C ATOM 7 C UNL d 1 35.432 74.954 107.126 0.00 0.00 0.313 C ATOM 8 C UNL d 1 34.274 72.909 107.892 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 31.715 75.932 106.058 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 31.069 76.718 104.950 0.00 0.00 0.021 A ATOM 11 S UNL d 1 29.481 77.365 105.142 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 29.585 78.031 103.583 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 28.289 78.966 102.958 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 30.679 77.802 102.903 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 31.531 77.044 103.687 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 32.406 73.395 104.086 0.00 0.00 0.001 N ATOM 17 O UNL d 1 32.857 74.118 103.182 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 31.330 72.786 103.957 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3