REMARK VINA RESULT: -7.3 2.097 2.760 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 6.429 2.825 2.011 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 7.868 3.043 2.055 0.00 0.00 0.065 C ATOM 3 C UNL d 1 8.415 2.571 3.421 0.00 0.00 0.079 C ATOM 4 C UNL d 1 7.148 2.338 4.148 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 6.069 2.487 3.290 0.00 0.00 0.110 A ATOM 6 C UNL d 1 8.113 4.541 1.842 0.00 0.00 0.046 C ATOM 7 C UNL d 1 8.487 2.243 0.906 0.00 0.00 0.046 C ATOM 8 C UNL d 1 6.963 1.975 5.472 0.00 0.00 0.010 A ATOM 9 C UNL d 1 4.770 2.288 3.725 0.00 0.00 0.114 A ATOM 10 C UNL d 1 5.659 1.755 5.922 0.00 0.00 0.003 A ATOM 11 C UNL d 1 4.565 1.899 5.051 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 3.733 2.416 2.779 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 2.503 2.966 3.118 0.00 0.00 0.365 C ATOM 14 O UNL d 1 1.473 2.347 3.361 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 2.505 4.333 3.165 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 3.629 5.212 2.964 0.00 0.00 0.151 C ATOM 17 H UNL d 1 1.605 4.731 3.397 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2