REMARK VINA RESULT: -5.1 3.133 4.981 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 34.512 6.771 32.337 0.00 0.00 -0.337 OA ATOM 2 C UNL d 1 35.592 7.728 32.534 0.00 0.00 0.065 C ATOM 3 C UNL d 1 35.122 9.128 32.076 0.00 0.00 0.079 C ATOM 4 C UNL d 1 33.847 8.777 31.413 0.00 0.00 -0.019 A ATOM 5 C UNL d 1 33.559 7.435 31.610 0.00 0.00 0.110 A ATOM 6 C UNL d 1 36.791 7.245 31.711 0.00 0.00 0.046 C ATOM 7 C UNL d 1 35.943 7.723 34.023 0.00 0.00 0.046 C ATOM 8 C UNL d 1 32.977 9.601 30.719 0.00 0.00 0.010 A ATOM 9 C UNL d 1 32.398 6.868 31.112 0.00 0.00 0.114 A ATOM 10 C UNL d 1 31.794 9.046 30.224 0.00 0.00 0.003 A ATOM 11 C UNL d 1 31.497 7.689 30.429 0.00 0.00 0.040 A ENDROOT BRANCH 9 12 ATOM 12 O UNL d 1 32.159 5.508 31.393 0.00 0.00 -0.259 OA BRANCH 12 13 ATOM 13 C UNL d 1 33.153 4.549 31.246 0.00 0.00 0.365 C ATOM 14 O UNL d 1 33.755 4.280 30.213 0.00 0.00 -0.238 OA ATOM 15 N UNL d 1 33.440 3.871 32.400 0.00 0.00 -0.341 N ATOM 16 C UNL d 1 32.875 4.093 33.706 0.00 0.00 0.151 C ATOM 17 H UNL d 1 34.154 3.164 32.286 0.00 0.00 0.164 HD ENDBRANCH 12 13 ENDBRANCH 9 12 TORSDOF 2