REMARK VINA RESULT: -4.4 2.933 5.376 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 8.669 -16.111 4.679 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 9.190 -14.757 4.559 0.00 0.00 0.065 C ATOM 3 C UNL d 1 10.395 -14.587 5.513 0.00 0.00 0.079 C ATOM 4 C UNL d 1 10.293 -15.841 6.293 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 9.308 -16.658 5.761 0.00 0.00 0.110 A ATOM 6 C UNL d 1 8.054 -13.793 4.917 0.00 0.00 0.046 C ATOM 7 C UNL d 1 9.608 -14.554 3.101 0.00 0.00 0.046 C ATOM 8 C UNL d 1 11.053 -16.250 7.376 0.00 0.00 0.010 A ATOM 9 C UNL d 1 9.042 -17.907 6.296 0.00 0.00 0.114 A ATOM 10 C UNL d 1 10.807 -17.514 7.918 0.00 0.00 0.003 A ATOM 11 C UNL d 1 9.814 -18.346 7.375 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 8.054 -18.693 5.669 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 6.732 -18.274 5.591 0.00 0.00 0.365 C ATOM 14 O UNL d 1 6.036 -17.889 6.523 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 6.213 -18.323 4.326 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 6.898 -18.693 3.114 0.00 0.00 0.151 C ATOM 17 H UNL d 1 5.246 -18.031 4.275 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2