REMARK VINA RESULT: -5.7 2.460 5.020 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 -0.912 -5.417 5.602 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -1.769 -4.298 5.966 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -1.063 -2.973 5.596 0.00 0.00 0.079 C ATOM 4 C UNL d 1 0.287 -3.477 5.261 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 0.297 -4.863 5.272 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -2.032 -4.389 7.473 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -3.082 -4.457 5.195 0.00 0.00 0.046 C ATOM 8 C UNL d 1 1.421 -2.757 4.923 0.00 0.00 0.010 A ATOM 9 C UNL d 1 1.441 -5.578 4.957 0.00 0.00 0.114 A ATOM 10 C UNL d 1 2.578 -3.464 4.589 0.00 0.00 0.003 A ATOM 11 C UNL d 1 2.588 -4.869 4.593 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 1.355 -6.985 4.950 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 1.558 -7.732 6.104 0.00 0.00 0.365 C ATOM 14 O UNL d 1 1.121 -7.477 7.220 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 2.330 -8.844 5.910 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 2.877 -9.323 4.666 0.00 0.00 0.151 C ATOM 17 H UNL d 1 2.488 -9.378 6.755 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2