REMARK VINA RESULT: -6.9 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 0.627 -7.561 6.850 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 1.802 -8.095 6.175 0.00 0.00 0.065 C ATOM 3 C UNL d 1 2.277 -7.087 5.103 0.00 0.00 0.079 C ATOM 4 C UNL d 1 1.139 -6.141 5.106 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 0.253 -6.460 6.123 0.00 0.00 0.110 A ATOM 6 C UNL d 1 1.402 -9.433 5.545 0.00 0.00 0.046 C ATOM 7 C UNL d 1 2.879 -8.318 7.239 0.00 0.00 0.046 C ATOM 8 C UNL d 1 0.925 -5.042 4.290 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -0.881 -5.701 6.355 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -0.207 -4.258 4.521 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -1.103 -4.576 5.556 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -1.708 -6.067 7.436 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -3.030 -6.450 7.244 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -3.417 -7.511 6.769 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -3.939 -5.507 7.640 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -3.664 -4.237 8.264 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -4.899 -5.782 7.485 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2