REMARK VINA RESULT: -4.7 2.842 4.990 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 -2.846 0.410 10.357 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -4.030 0.087 9.572 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.664 -0.978 8.513 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -2.190 -0.987 8.643 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -1.799 -0.192 9.709 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.516 1.383 8.916 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -5.091 -0.440 10.541 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -1.259 -1.688 7.895 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -0.466 -0.062 10.059 0.00 0.00 0.114 A ATOM 10 C UNL d 1 0.088 -1.579 8.245 0.00 0.00 0.003 A ATOM 11 C UNL d 1 0.486 -0.779 9.330 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -0.156 0.731 11.183 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 0.064 2.098 11.070 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -0.791 2.959 10.899 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 1.381 2.454 11.165 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 2.504 1.587 11.420 0.00 0.00 0.151 C ATOM 17 H UNL d 1 1.539 3.448 11.068 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2