REMARK VINA RESULT: -5.2 0.000 0.000 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 31.227 7.909 31.517 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 31.283 7.816 30.065 0.00 0.00 0.065 C ATOM 3 C UNL d 1 31.969 6.490 29.664 0.00 0.00 0.079 C ATOM 4 C UNL d 1 32.473 6.044 30.982 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 32.007 6.883 31.982 0.00 0.00 0.110 A ATOM 6 C UNL d 1 32.070 9.028 29.556 0.00 0.00 0.046 C ATOM 7 C UNL d 1 29.843 7.872 29.547 0.00 0.00 0.046 C ATOM 8 C UNL d 1 33.257 4.942 31.281 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.315 6.656 33.313 0.00 0.00 0.114 A ATOM 10 C UNL d 1 33.564 4.692 32.620 0.00 0.00 0.003 A ATOM 11 C UNL d 1 33.086 5.537 33.636 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 31.766 7.531 34.272 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 32.085 8.883 34.290 0.00 0.00 0.365 C ATOM 14 O UNL d 1 33.077 9.402 33.793 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 31.164 9.657 34.944 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 29.923 9.225 35.535 0.00 0.00 0.151 C ATOM 17 H UNL d 1 31.406 10.638 34.968 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2