REMARK VINA RESULT: -5.1 3.670 5.675 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 -1.508 2.200 10.640 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -2.048 1.036 9.953 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.007 -0.106 9.987 0.00 0.00 0.079 C ATOM 4 C UNL d 1 0.171 0.625 10.506 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -0.186 1.915 10.865 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -2.368 1.457 8.514 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -3.334 0.632 10.677 0.00 0.00 0.046 C ATOM 8 C UNL d 1 1.464 0.164 10.690 0.00 0.00 0.010 A ATOM 9 C UNL d 1 0.736 2.792 11.410 0.00 0.00 0.114 A ATOM 10 C UNL d 1 2.402 1.032 11.253 0.00 0.00 0.003 A ATOM 11 C UNL d 1 2.040 2.338 11.624 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 0.282 4.071 11.789 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 0.745 4.697 12.940 0.00 0.00 0.365 C ATOM 14 O UNL d 1 0.513 4.357 14.094 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.526 5.793 12.694 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 1.943 6.298 11.411 0.00 0.00 0.151 C ATOM 17 H UNL d 1 1.849 6.255 13.534 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2