REMARK VINA RESULT: -6.3 1.729 3.120 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 -6.289 -1.199 1.362 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -6.711 -1.078 -0.027 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -5.600 -1.631 -0.948 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -4.505 -1.804 0.031 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -4.966 -1.555 1.314 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -6.975 0.407 -0.300 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -8.007 -1.877 -0.182 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -3.197 -2.200 -0.194 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.136 -1.682 2.415 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -2.351 -2.347 0.908 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -2.819 -2.102 2.210 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -4.694 -1.453 3.689 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -4.002 -1.762 4.853 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -2.841 -1.464 5.109 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -4.740 -2.472 5.761 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -6.124 -2.857 5.651 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -4.229 -2.708 6.601 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2