REMARK VINA RESULT: -4.8 2.736 4.140 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 34.595 8.089 31.398 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 35.974 7.635 31.519 0.00 0.00 0.065 C ATOM 3 C UNL d 1 36.011 6.334 32.354 0.00 0.00 0.079 C ATOM 4 C UNL d 1 34.618 6.299 32.851 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.873 7.309 32.263 0.00 0.00 0.110 A ATOM 6 C UNL d 1 36.771 8.756 32.195 0.00 0.00 0.046 C ATOM 7 C UNL d 1 36.503 7.397 30.103 0.00 0.00 0.046 C ATOM 8 C UNL d 1 34.036 5.403 33.733 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.526 7.466 32.541 0.00 0.00 0.114 A ATOM 10 C UNL d 1 32.674 5.539 34.012 0.00 0.00 0.003 A ATOM 11 C UNL d 1 31.917 6.558 33.411 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 31.831 8.491 31.868 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 31.067 8.230 30.737 0.00 0.00 0.365 C ATOM 14 O UNL d 1 30.115 7.462 30.665 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 31.469 8.926 29.629 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 32.524 9.904 29.547 0.00 0.00 0.151 C ATOM 17 H UNL d 1 30.921 8.723 28.804 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2