REMARK VINA RESULT: -3.9 3.782 5.443 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 5.644 -6.261 -1.824 0.00 0.00 -0.352 OA ATOM 2 N UNL d 1 7.089 -7.540 -3.199 0.00 0.00 -0.188 N ATOM 3 N UNL d 1 5.398 -8.550 -2.106 0.00 0.00 -0.198 N ATOM 4 N UNL d 1 7.039 -9.955 -2.913 0.00 0.00 0.083 NA ATOM 5 C UNL d 1 6.956 -6.374 -2.346 0.00 0.00 0.314 C ATOM 6 C UNL d 1 6.583 -8.750 -2.774 0.00 0.00 0.725 C ATOM 7 C UNL d 1 5.303 -7.466 -1.168 0.00 0.00 0.313 C ATOM 8 C UNL d 1 4.223 -9.372 -2.314 0.00 0.00 0.171 C ENDROOT BRANCH 2 9 ATOM 9 C UNL d 1 7.267 -7.273 -4.635 0.00 0.00 0.191 C BRANCH 9 10 ATOM 10 C UNL d 1 8.443 -6.420 -5.023 0.00 0.00 0.021 A ATOM 11 S UNL d 1 8.435 -5.537 -6.506 0.00 0.00 -0.060 SA ATOM 12 C UNL d 1 9.972 -4.924 -6.126 0.00 0.00 0.167 A ATOM 13 CL UNL d 1 10.743 -3.816 -7.186 0.00 0.00 -0.054 Cl ATOM 14 N UNL d 1 10.523 -5.329 -5.011 0.00 0.00 -0.240 NA ATOM 15 C UNL d 1 9.645 -6.192 -4.378 0.00 0.00 0.135 A ENDBRANCH 9 10 ENDBRANCH 2 9 BRANCH 4 16 ATOM 16 N UNL d 1 8.290 -10.127 -3.365 0.00 0.00 0.001 N ATOM 17 O UNL d 1 9.253 -9.553 -2.829 0.00 0.00 -0.515 OA ATOM 18 O UNL d 1 8.449 -10.937 -4.294 0.00 0.00 -0.515 OA ENDBRANCH 4 16 TORSDOF 3