REMARK VINA RESULT: -6.0 2.227 3.758 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 -5.426 -2.790 0.312 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.441 -3.092 -0.717 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -4.687 -2.181 -1.942 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -5.990 -1.587 -1.572 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -6.340 -1.962 -0.285 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.596 -4.573 -1.082 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -3.057 -2.844 -0.113 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -6.792 -0.732 -2.311 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -7.507 -1.507 0.306 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -7.965 -0.252 -1.723 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -8.318 -0.627 -0.415 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -7.768 -1.901 1.633 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -7.433 -1.092 2.712 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -7.702 0.097 2.839 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -6.734 -1.742 3.692 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.382 -3.139 3.733 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -6.478 -1.147 4.469 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2