REMARK VINA RESULT: -6.8 2.287 3.604 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 4.571 4.586 5.560 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 5.148 3.668 4.588 0.00 0.00 0.065 C ATOM 3 C UNL d 1 4.380 3.789 3.252 0.00 0.00 0.079 C ATOM 4 C UNL d 1 3.238 4.628 3.678 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 3.417 5.053 4.986 0.00 0.00 0.110 A ATOM 6 C UNL d 1 5.038 2.254 5.170 0.00 0.00 0.046 C ATOM 7 C UNL d 1 6.620 4.049 4.415 0.00 0.00 0.046 C ATOM 8 C UNL d 1 2.135 5.028 2.942 0.00 0.00 0.010 A ATOM 9 C UNL d 1 2.498 5.881 5.606 0.00 0.00 0.114 A ATOM 10 C UNL d 1 1.207 5.876 3.549 0.00 0.00 0.003 A ATOM 11 C UNL d 1 1.390 6.313 4.872 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 2.776 6.302 6.922 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 2.242 5.645 8.024 0.00 0.00 0.365 C ATOM 14 O UNL d 1 2.661 4.608 8.525 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.142 6.263 8.554 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 0.551 7.508 8.131 0.00 0.00 0.151 C ATOM 17 H UNL d 1 0.747 5.775 9.347 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2