REMARK VINA RESULT: -6.0 2.181 2.709 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 -5.231 -3.311 -0.094 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.646 -3.065 -1.468 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -7.152 -2.718 -1.492 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -7.522 -3.045 -0.097 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -6.389 -3.359 0.638 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -5.354 -4.337 -2.272 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -4.803 -1.904 -2.000 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -8.774 -3.021 0.495 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -6.468 -3.670 1.985 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -8.867 -3.318 1.857 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -7.719 -3.630 2.604 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.264 -3.936 2.669 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.097 -5.089 3.425 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -5.016 -6.234 2.996 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -5.026 -4.858 4.772 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -5.047 -3.583 5.442 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -4.919 -5.701 5.321 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2