REMARK VINA RESULT: -6.6 1.528 1.819 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 33.033 75.433 105.333 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 33.950 75.189 106.437 0.00 0.00 0.065 C ATOM 3 C UNL d 1 35.173 76.126 106.302 0.00 0.00 0.079 C ATOM 4 C UNL d 1 34.940 76.671 104.946 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.710 76.250 104.465 0.00 0.00 0.110 A ATOM 6 C UNL d 1 34.366 73.716 106.373 0.00 0.00 0.046 C ATOM 7 C UNL d 1 33.187 75.462 107.736 0.00 0.00 0.046 C ATOM 8 C UNL d 1 35.744 77.521 104.205 0.00 0.00 0.010 A ATOM 9 C UNL d 1 33.245 76.654 103.225 0.00 0.00 0.114 A ATOM 10 C UNL d 1 35.282 77.950 102.959 0.00 0.00 0.003 A ATOM 11 C UNL d 1 34.032 77.529 102.473 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 31.966 76.215 102.829 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 30.858 77.052 102.890 0.00 0.00 0.365 C ATOM 14 O UNL d 1 30.727 78.126 102.315 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 29.853 76.578 103.689 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 29.815 75.320 104.390 0.00 0.00 0.151 C ATOM 17 H UNL d 1 29.055 77.197 103.743 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2