REMARK VINA RESULT: -6.1 1.252 1.252 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_2 and C_12 REMARK 2 A between atoms: O_2 and C_15 REMARK I between atoms: N_4 and C_15 ROOT ATOM 1 O UNL d 1 -18.957 19.879 -24.398 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -20.373 20.064 -24.684 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -20.583 20.103 -26.216 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -19.178 20.179 -26.674 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -18.315 20.033 -25.599 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -20.808 21.377 -24.027 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -21.125 18.889 -24.055 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -18.695 20.322 -27.964 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -16.941 20.036 -25.773 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -17.311 20.311 -28.157 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -16.436 20.156 -27.069 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -16.135 19.839 -24.634 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -14.883 20.431 -24.517 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -13.802 19.888 -24.712 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -14.929 21.746 -24.144 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -16.104 22.553 -23.929 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -14.016 22.170 -24.046 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2