REMARK VINA RESULT: -4.7 3.093 4.996 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 -0.035 4.007 11.447 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 1.074 4.632 12.155 0.00 0.00 0.065 C ATOM 3 C UNL d 1 2.309 3.704 12.091 0.00 0.00 0.079 C ATOM 4 C UNL d 1 1.692 2.480 11.533 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 0.374 2.726 11.181 0.00 0.00 0.110 A ATOM 6 C UNL d 1 0.624 4.864 13.602 0.00 0.00 0.046 C ATOM 7 C UNL d 1 1.355 5.973 11.473 0.00 0.00 0.046 C ATOM 8 C UNL d 1 2.272 1.243 11.309 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -0.413 1.743 10.604 0.00 0.00 0.114 A ATOM 10 C UNL d 1 1.496 0.246 10.714 0.00 0.00 0.003 A ATOM 11 C UNL d 1 0.162 0.495 10.350 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -1.729 2.087 10.236 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -2.338 1.539 9.114 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -1.952 1.642 7.956 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -3.475 0.832 9.395 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -4.039 0.565 10.693 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -3.924 0.446 8.574 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2