38D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O07 | C04 | sing | 1.36Å | 1.41Å | |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C02 | sing | 1.39Å | 1.38Å | Aromatic |
| C06 | C08 | doub | 1.40Å | 1.38Å | Aromatic |
| C02 | O03 | sing | 1.36Å | 1.41Å | |
| C02 | C01 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C01 | sing | 1.40Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.48Å | 1.51Å | |
| C09 | O10 | doub | 1.22Å | 1.22Å | |
| C09 | N11 | sing | 1.35Å | 1.42Å | |
| N11 | N12 | sing | 1.40Å | 1.38Å | |
| N12 | C13 | doub | 1.30Å | 1.31Å | |
| C13 | C14 | sing | 1.47Å | 1.51Å | |
| CL2 | C20 | sing | 1.74Å | 1.74Å | |
| C14 | C20 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | CL1 | sing | 1.74Å | 1.74Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C01 | H3 | sing | 1.08Å | 1.08Å | |
| O03 | H4 | sing | 0.97Å | 0.95Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C06 | H6 | sing | 1.08Å | 1.08Å | |
| O07 | H7 | sing | 0.97Å | 0.95Å | |
| N11 | H8 | sing | 0.97Å | 1.00Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O07 | C04 | C05 | 120.2° | 119.9° |
| O07 | C04 | C02 | 119.8° | 119.9° |
| C04 | O07 | H7 | 109.5° | 114.0° |
| C04 | C05 | C06 | 120.5° | 120.1° |
| C05 | C04 | C02 | 120.0° | 120.2° |
| C04 | C05 | H5 | 119.7° | 120.0° |
| C05 | C06 | C08 | 119.2° | 120.1° |
| C06 | C05 | H5 | 119.7° | 119.9° |
| C05 | C06 | H6 | 120.4° | 120.0° |
| C04 | C02 | O03 | 120.4° | 120.0° |
| C04 | C02 | C01 | 119.6° | 120.0° |
| C06 | C08 | C01 | 120.2° | 119.8° |
| C06 | C08 | C09 | 121.7° | 120.1° |
| C08 | C06 | H6 | 120.4° | 120.0° |
| O03 | C02 | C01 | 120.0° | 120.0° |
| C02 | O03 | H4 | 109.5° | 114.0° |
| C02 | C01 | C08 | 120.4° | 119.9° |
| C02 | C01 | H3 | 119.8° | 120.1° |
| C01 | C08 | C09 | 118.1° | 120.1° |
| C08 | C01 | H3 | 119.8° | 120.1° |
| C08 | C09 | O10 | 121.7° | 119.9° |
| C08 | C09 | N11 | 116.2° | 120.1° |
| O10 | C09 | N11 | 122.0° | 120.0° |
| C09 | N11 | N12 | 125.0° | 120.0° |
| C09 | N11 | H8 | 117.5° | 120.0° |
| N11 | N12 | C13 | 115.3° | 120.0° |
| N12 | N11 | H8 | 117.5° | 120.0° |
| N12 | C13 | C14 | 123.7° | 120.0° |
| N12 | C13 | H1 | 118.2° | 119.9° |
| C13 | C14 | C20 | 117.8° | 120.2° |
| C13 | C14 | C15 | 121.9° | 120.1° |
| C14 | C13 | H1 | 118.2° | 120.1° |
| CL2 | C20 | C14 | 119.4° | 120.0° |
| CL2 | C20 | C19 | 120.3° | 120.1° |
| C20 | C14 | C15 | 120.2° | 119.7° |
| C14 | C20 | C19 | 120.3° | 119.9° |
| C14 | C15 | C16 | 119.5° | 119.8° |
| C14 | C15 | H2 | 120.2° | 120.1° |
| C20 | C19 | C17 | 119.7° | 120.1° |
| C20 | C19 | H10 | 120.2° | 119.9° |
| C15 | C16 | C17 | 120.2° | 120.2° |
| C16 | C15 | H2 | 120.2° | 120.1° |
| C15 | C16 | H9 | 119.9° | 119.9° |
| C19 | C17 | C16 | 120.1° | 120.3° |
| C19 | C17 | CL1 | 119.5° | 119.9° |
| C17 | C19 | H10 | 120.1° | 119.9° |
| C16 | C17 | CL1 | 120.4° | 119.9° |
| C17 | C16 | H9 | 119.9° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O07 | C04 | C05 | C02 | 180.0° | 180.0° |
| O07 | C04 | C05 | C06 | 180.0° | 180.0° |
| O07 | C04 | C02 | O03 | 0.1° | 0.0° |
| O07 | C04 | C02 | C01 | 180.0° | 180.0° |
| O07 | C04 | C05 | H5 | 0.0° | 0.0° |
| C04 | C05 | C06 | H5 | 180.0° | 180.0° |
| C04 | C05 | C06 | C08 | 0.1° | 0.2° |
| C05 | C04 | C02 | O03 | 179.9° | 180.0° |
| C05 | C04 | C02 | C01 | 0.0° | 0.0° |
| C04 | C05 | C06 | H6 | 180.0° | 180.0° |
| C05 | C04 | O07 | H7 | 180.0° | 90.1° |
| C06 | C05 | C04 | C02 | 0.0° | 0.0° |
| C05 | C06 | C08 | H6 | 180.0° | 179.8° |
| C05 | C06 | C08 | C01 | 0.2° | 0.5° |
| C05 | C06 | C08 | C09 | 180.0° | 180.0° |
| C04 | C02 | O03 | C01 | 179.9° | 179.9° |
| C04 | C02 | C01 | C08 | 0.1° | 0.3° |
| C04 | C02 | C01 | H3 | 179.9° | 180.0° |
| C04 | C02 | O03 | H4 | 180.0° | 90.0° |
| C02 | C04 | C05 | H5 | 180.0° | 180.0° |
| C02 | C04 | O07 | H7 | 0.1° | 89.9° |
| C06 | C08 | C01 | C02 | 0.2° | 0.6° |
| C06 | C08 | C01 | C09 | 179.8° | 179.5° |
| C06 | C08 | C09 | O10 | 6.4° | 180.0° |
| C06 | C08 | C09 | N11 | 173.7° | 0.0° |
| C06 | C08 | C01 | H3 | 179.8° | 179.8° |
| C08 | C06 | C05 | H5 | 179.9° | 179.7° |
| O03 | C02 | C01 | C08 | 179.8° | 179.7° |
| O03 | C02 | C01 | H3 | 0.2° | 0.1° |
| C02 | C01 | C08 | H3 | 180.0° | 179.6° |
| C02 | C01 | C08 | C09 | 180.0° | 180.0° |
| C01 | C02 | O03 | H4 | 0.1° | 90.0° |
| C01 | C08 | C09 | O10 | 173.8° | 0.5° |
| C01 | C08 | C09 | N11 | 6.1° | 179.4° |
| C01 | C08 | C06 | H6 | 179.8° | 179.7° |
| C08 | C09 | O10 | N11 | 179.9° | 179.9° |
| C08 | C09 | N11 | N12 | 179.9° | 180.0° |
| C09 | C08 | C01 | H3 | 0.0° | 0.3° |
| C09 | C08 | C06 | H6 | 0.0° | 0.2° |
| C08 | C09 | N11 | H8 | 0.1° | 0.0° |
| O10 | C09 | N11 | N12 | 0.1° | 0.0° |
| O10 | C09 | N11 | H8 | 179.9° | 180.0° |
| C09 | N11 | N12 | H8 | 180.0° | 180.0° |
| C09 | N11 | N12 | C13 | 155.9° | 180.0° |
| N11 | N12 | C13 | C14 | 179.0° | 180.0° |
| N11 | N12 | C13 | H1 | 1.0° | 0.0° |
| N12 | C13 | C14 | H1 | 180.0° | 179.9° |
| N12 | C13 | C14 | C20 | 164.0° | 0.0° |
| N12 | C13 | C14 | C15 | 15.7° | 180.0° |
| C13 | N12 | N11 | H8 | 24.1° | 0.0° |
| C13 | C14 | C20 | CL2 | 0.3° | 0.3° |
| C13 | C14 | C20 | C15 | 179.7° | 180.0° |
| C13 | C14 | C20 | C19 | 179.9° | 179.5° |
| C13 | C14 | C15 | C16 | 179.8° | 180.0° |
| C13 | C14 | C15 | H2 | 0.1° | 0.3° |
| CL2 | C20 | C14 | C19 | 179.9° | 179.2° |
| CL2 | C20 | C14 | C15 | 180.0° | 179.7° |
| CL2 | C20 | C19 | C17 | 179.9° | 180.0° |
| CL2 | C20 | C19 | H10 | 0.1° | 0.8° |
| C20 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C20 | C19 | C17 | 0.0° | 0.8° |
| C20 | C14 | C13 | H1 | 16.0° | 180.0° |
| C20 | C14 | C15 | H2 | 179.9° | 179.7° |
| C14 | C20 | C19 | H10 | 180.0° | 180.0° |
| C15 | C14 | C20 | C19 | 0.1° | 0.5° |
| C14 | C15 | C16 | H2 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 0.0° | 0.2° |
| C15 | C14 | C13 | H1 | 164.3° | 0.0° |
| C14 | C15 | C16 | H9 | 179.9° | 179.7° |
| C20 | C19 | C17 | H10 | 180.0° | 179.2° |
| C20 | C19 | C17 | C16 | 0.0° | 0.6° |
| C20 | C19 | C17 | CL1 | 180.0° | 179.5° |
| C15 | C16 | C17 | C19 | 0.0° | 0.0° |
| C15 | C16 | C17 | H9 | 180.0° | 179.9° |
| C15 | C16 | C17 | CL1 | 180.0° | 180.0° |
| C19 | C17 | C16 | CL1 | 180.0° | 179.9° |
| C19 | C17 | C16 | H9 | 180.0° | 180.0° |
| C17 | C16 | C15 | H2 | 179.9° | 179.9° |
| C16 | C17 | C19 | H10 | 180.0° | 179.8° |
| CL1 | C17 | C16 | H9 | 0.0° | 0.1° |
| CL1 | C17 | C19 | H10 | 0.0° | 0.3° |
| H2 | C15 | C16 | H9 | 0.1° | 0.0° |
| H5 | C05 | C06 | H6 | 0.1° | 0.0° |
