REMARK VINA RESULT: -4.4 1.871 2.357 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 7.111 -7.624 -5.732 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 8.310 -7.407 -6.531 0.00 0.00 0.065 C ATOM 3 C UNL d 1 9.491 -7.062 -5.596 0.00 0.00 0.079 C ATOM 4 C UNL d 1 8.770 -6.873 -4.317 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 7.436 -7.219 -4.464 0.00 0.00 0.110 A ATOM 6 C UNL d 1 8.013 -6.261 -7.504 0.00 0.00 0.046 C ATOM 7 C UNL d 1 8.580 -8.697 -7.309 0.00 0.00 0.046 C ATOM 8 C UNL d 1 9.273 -6.464 -3.093 0.00 0.00 0.010 A ATOM 9 C UNL d 1 6.556 -7.160 -3.397 0.00 0.00 0.114 A ATOM 10 C UNL d 1 8.400 -6.414 -2.003 0.00 0.00 0.003 A ATOM 11 C UNL d 1 7.049 -6.772 -2.149 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 5.226 -7.570 -3.619 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 4.510 -8.270 -2.656 0.00 0.00 0.365 C ATOM 14 O UNL d 1 4.623 -9.460 -2.388 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 3.604 -7.501 -1.977 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 3.378 -6.085 -2.122 0.00 0.00 0.151 C ATOM 17 H UNL d 1 3.073 -8.016 -1.287 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2