REMARK VINA RESULT: -5.6 2.007 2.434 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 -5.369 -3.112 2.270 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 -5.028 -3.682 3.565 0.00 0.00 0.065 C ATOM 3 C UNL d 1 -3.655 -3.134 4.018 0.00 0.00 0.079 C ATOM 4 C UNL d 1 -3.216 -2.459 2.776 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 -4.236 -2.473 1.838 0.00 0.00 0.110 A ATOM 6 C UNL d 1 -4.995 -5.206 3.403 0.00 0.00 0.046 C ATOM 7 C UNL d 1 -6.132 -3.284 4.547 0.00 0.00 0.046 C ATOM 8 C UNL d 1 -2.010 -1.834 2.511 0.00 0.00 0.010 A ATOM 9 C UNL d 1 -4.084 -1.873 0.599 0.00 0.00 0.114 A ATOM 10 C UNL d 1 -1.846 -1.210 1.272 0.00 0.00 0.003 A ATOM 11 C UNL d 1 -2.881 -1.218 0.322 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 -5.184 -1.895 -0.281 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 -5.038 -2.237 -1.620 0.00 0.00 0.365 C ATOM 14 O UNL d 1 -4.639 -1.505 -2.517 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 -5.393 -3.529 -1.899 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 -5.827 -4.537 -0.966 0.00 0.00 0.151 C ATOM 17 H UNL d 1 -5.300 -3.771 -2.877 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2