REMARK VINA RESULT: -6.4 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 -6.705 -1.634 0.781 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -6.750 -1.777 -0.668 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -7.286 -3.183 -1.025 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -7.270 -3.820 0.311 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -6.946 -2.886 1.283 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.327 -1.572 -1.196 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -7.672 -0.682 -1.208 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -7.567 -5.130 0.649 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -6.897 -3.230 2.623 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -7.538 -5.488 1.998 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -7.216 -4.541 2.986 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -6.602 -2.212 3.552 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -6.675 -2.433 4.922 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -5.922 -3.137 5.584 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -7.709 -1.777 5.532 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -8.649 -0.871 4.922 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -7.768 -1.952 6.526 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2