REMARK VINA RESULT: -5.6 2.341 3.857 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 -3.115 13.065 -14.368 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.030 14.042 -14.941 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.241 15.001 -15.862 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -1.854 14.609 -15.526 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -1.858 13.504 -14.690 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.685 14.797 -13.779 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.092 13.270 -15.727 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -0.666 15.167 -15.969 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -0.677 12.924 -14.258 0.00 0.00 0.114 A ATOM 10 C UNL d 1 0.533 14.584 -15.554 0.00 0.00 0.003 A ATOM 11 C UNL d 1 0.531 13.459 -14.712 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -0.768 11.777 -13.444 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -0.100 10.602 -13.766 0.00 0.00 0.365 C ATOM 14 O UNL d 1 1.050 10.312 -13.458 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -0.851 9.726 -14.501 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -2.227 9.877 -14.902 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -0.358 8.878 -14.747 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2