REMARK VINA RESULT: -2.6 1.331 1.627 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 32.317 4.195 -40.975 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 33.333 3.212 -40.626 0.00 0.00 0.065 C ATOM 3 C UNL d 1 33.398 2.131 -41.730 0.00 0.00 0.079 C ATOM 4 C UNL d 1 32.197 2.487 -42.519 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 31.645 3.667 -42.046 0.00 0.00 0.110 A ATOM 6 C UNL d 1 32.943 2.606 -39.274 0.00 0.00 0.046 C ATOM 7 C UNL d 1 34.666 3.954 -40.502 0.00 0.00 0.046 C ATOM 8 C UNL d 1 31.655 1.832 -43.613 0.00 0.00 0.010 A ATOM 9 C UNL d 1 30.528 4.228 -42.641 0.00 0.00 0.114 A ATOM 10 C UNL d 1 30.538 2.395 -44.233 0.00 0.00 0.003 A ATOM 11 C UNL d 1 29.981 3.594 -43.759 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 30.055 5.452 -42.126 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 29.095 6.200 -42.795 0.00 0.00 0.365 C ATOM 14 O UNL d 1 27.977 5.820 -43.124 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 29.497 7.474 -43.091 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 30.745 8.101 -42.735 0.00 0.00 0.151 C ATOM 17 H UNL d 1 28.802 8.012 -43.591 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2