REMARK VINA RESULT: -4.7 2.256 2.812 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 14.132 42.346 24.933 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 14.115 42.888 23.582 0.00 0.00 0.065 C ATOM 3 C UNL d 1 15.264 43.911 23.428 0.00 0.00 0.079 C ATOM 4 C UNL d 1 15.698 44.036 24.837 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 15.027 43.117 25.628 0.00 0.00 0.110 A ATOM 6 C UNL d 1 12.748 43.547 23.367 0.00 0.00 0.046 C ATOM 7 C UNL d 1 14.288 41.714 22.615 0.00 0.00 0.046 C ATOM 8 C UNL d 1 16.656 44.878 25.376 0.00 0.00 0.010 A ATOM 9 C UNL d 1 15.282 43.013 26.985 0.00 0.00 0.114 A ATOM 10 C UNL d 1 16.936 44.775 26.740 0.00 0.00 0.003 A ATOM 11 C UNL d 1 16.262 43.838 27.542 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 14.589 42.022 27.710 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 13.262 42.191 28.084 0.00 0.00 0.365 C ATOM 14 O UNL d 1 12.807 43.112 28.752 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 12.434 41.197 27.639 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 12.785 40.076 26.803 0.00 0.00 0.151 C ATOM 17 H UNL d 1 11.471 41.314 27.926 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2