REMARK VINA RESULT: -5.3 1.520 1.937 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 8.570 -16.363 5.884 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 7.628 -17.344 5.363 0.00 0.00 0.065 C ATOM 3 C UNL d 1 7.749 -17.402 3.823 0.00 0.00 0.079 C ATOM 4 C UNL d 1 8.617 -16.228 3.582 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 9.053 -15.699 4.786 0.00 0.00 0.110 A ATOM 6 C UNL d 1 6.224 -16.910 5.797 0.00 0.00 0.046 C ATOM 7 C UNL d 1 7.977 -18.694 5.995 0.00 0.00 0.046 C ATOM 8 C UNL d 1 9.031 -15.691 2.374 0.00 0.00 0.010 A ATOM 9 C UNL d 1 9.908 -14.610 4.828 0.00 0.00 0.114 A ATOM 10 C UNL d 1 9.905 -14.602 2.399 0.00 0.00 0.003 A ATOM 11 C UNL d 1 10.354 -14.069 3.619 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 10.339 -14.161 6.092 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 10.370 -12.809 6.411 0.00 0.00 0.365 C ATOM 14 O UNL d 1 11.300 -12.036 6.210 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 9.225 -12.358 7.010 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 8.023 -13.108 7.271 0.00 0.00 0.151 C ATOM 17 H UNL d 1 9.256 -11.377 7.254 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2