REMARK VINA RESULT: -6.2 2.434 5.332 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 32.036 76.186 105.252 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 31.353 75.531 104.145 0.00 0.00 0.065 C ATOM 3 C UNL d 1 31.699 74.024 104.151 0.00 0.00 0.079 C ATOM 4 C UNL d 1 32.782 74.005 105.160 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 32.909 75.253 105.749 0.00 0.00 0.110 A ATOM 6 C UNL d 1 31.820 76.206 102.851 0.00 0.00 0.046 C ATOM 7 C UNL d 1 29.851 75.753 104.339 0.00 0.00 0.046 C ATOM 8 C UNL d 1 33.571 72.941 105.563 0.00 0.00 0.010 A ATOM 9 C UNL d 1 33.835 75.485 106.752 0.00 0.00 0.114 A ATOM 10 C UNL d 1 34.499 73.155 106.584 0.00 0.00 0.003 A ATOM 11 C UNL d 1 34.625 74.417 107.187 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 33.872 76.770 107.329 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 35.068 77.357 107.723 0.00 0.00 0.365 C ATOM 14 O UNL d 1 35.396 77.637 108.870 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 35.917 77.627 106.685 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 35.719 77.318 105.291 0.00 0.00 0.151 C ATOM 17 H UNL d 1 36.780 78.068 106.973 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2