REMARK VINA RESULT: -4.7 0.937 1.374 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 7.158 -6.639 -5.109 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 8.134 -6.683 -6.188 0.00 0.00 0.065 C ATOM 3 C UNL d 1 8.869 -8.043 -6.157 0.00 0.00 0.079 C ATOM 4 C UNL d 1 8.388 -8.574 -4.862 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 7.417 -7.739 -4.332 0.00 0.00 0.110 A ATOM 6 C UNL d 1 9.107 -5.517 -5.978 0.00 0.00 0.046 C ATOM 7 C UNL d 1 7.372 -6.498 -7.502 0.00 0.00 0.046 C ATOM 8 C UNL d 1 8.754 -9.743 -4.217 0.00 0.00 0.010 A ATOM 9 C UNL d 1 6.786 -8.036 -3.137 0.00 0.00 0.114 A ATOM 10 C UNL d 1 8.115 -10.065 -3.017 0.00 0.00 0.003 A ATOM 11 C UNL d 1 7.126 -9.223 -2.483 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 5.779 -7.157 -2.689 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 4.515 -7.616 -2.340 0.00 0.00 0.365 C ATOM 14 O UNL d 1 3.729 -8.206 -3.072 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 4.171 -7.350 -1.043 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 4.986 -6.720 -0.035 0.00 0.00 0.151 C ATOM 17 H UNL d 1 3.245 -7.672 -0.796 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2