REMARK VINA RESULT: -6.0 0.000 0.000 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 10.131 -16.406 6.406 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 9.724 -17.781 6.148 0.00 0.00 0.065 C ATOM 3 C UNL d 1 9.527 -17.977 4.627 0.00 0.00 0.079 C ATOM 4 C UNL d 1 9.613 -16.574 4.165 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 9.969 -15.745 5.217 0.00 0.00 0.110 A ATOM 6 C UNL d 1 8.422 -18.027 6.917 0.00 0.00 0.046 C ATOM 7 C UNL d 1 10.830 -18.694 6.684 0.00 0.00 0.046 C ATOM 8 C UNL d 1 9.432 -16.071 2.888 0.00 0.00 0.010 A ATOM 9 C UNL d 1 10.146 -14.384 5.032 0.00 0.00 0.114 A ATOM 10 C UNL d 1 9.622 -14.703 2.682 0.00 0.00 0.003 A ATOM 11 C UNL d 1 9.990 -13.862 3.746 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 10.550 -13.617 6.144 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 9.648 -12.839 6.857 0.00 0.00 0.365 C ATOM 14 O UNL d 1 8.490 -13.135 7.130 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 10.159 -11.637 7.264 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 11.504 -11.153 7.082 0.00 0.00 0.151 C ATOM 17 H UNL d 1 9.495 -11.066 7.771 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2