REMARK VINA RESULT: 19.6 2.317 3.510 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 22.835 -6.647 2.885 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 23.309 -7.695 3.778 0.00 0.00 0.065 C ATOM 3 C UNL d 1 22.256 -8.826 3.841 0.00 0.00 0.079 C ATOM 4 C UNL d 1 21.129 -8.178 3.135 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 21.529 -6.959 2.611 0.00 0.00 0.110 A ATOM 6 C UNL d 1 23.532 -7.062 5.155 0.00 0.00 0.046 C ATOM 7 C UNL d 1 24.637 -8.209 3.217 0.00 0.00 0.046 C ATOM 8 C UNL d 1 19.846 -8.657 2.930 0.00 0.00 0.010 A ATOM 9 C UNL d 1 20.660 -6.171 1.875 0.00 0.00 0.114 A ATOM 10 C UNL d 1 18.962 -7.882 2.176 0.00 0.00 0.003 A ATOM 11 C UNL d 1 19.368 -6.648 1.639 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 21.158 -4.966 1.341 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 21.424 -4.826 -0.016 0.00 0.00 0.365 C ATOM 14 O UNL d 1 20.665 -5.101 -0.937 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 22.672 -4.333 -0.284 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 23.667 -3.908 0.669 0.00 0.00 0.151 C ATOM 17 H UNL d 1 22.869 -4.247 -1.272 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2