WHH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C35 | O34 | sing | 1.43Å | 1.42Å | |
| O34 | C30 | sing | 1.36Å | 1.39Å | |
| C30 | C31 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C29 | sing | 1.39Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C33 | sing | 1.38Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.51Å | 1.50Å | |
| C27 | N26 | sing | 1.47Å | 1.43Å | |
| O25 | C24 | doub | 1.21Å | 1.21Å | |
| O17 | C16 | doub | 1.22Å | 1.22Å | |
| N26 | C24 | sing | 1.35Å | 1.36Å | |
| C24 | C22 | sing | 1.48Å | 1.48Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | C13 | sing | 1.48Å | 1.47Å | |
| C16 | O18 | sing | 1.35Å | 1.35Å | |
| C11 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| N21 | C22 | sing | 1.37Å | 1.37Å | |
| N21 | C19 | sing | 1.35Å | 1.36Å | |
| C22 | N23 | doub | 1.30Å | 1.30Å | |
| C13 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| O20 | C19 | doub | 1.22Å | 1.22Å | |
| C19 | C5 | sing | 1.47Å | 1.48Å | |
| N23 | C4 | sing | 1.35Å | 1.40Å | |
| C10 | C9 | sing | 1.51Å | 1.49Å | |
| C10 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C5 | C4 | doub | 1.42Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C8 | O7 | sing | 1.43Å | 1.43Å | |
| C6 | O7 | sing | 1.36Å | 1.38Å | |
| C6 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | F36 | sing | 1.35Å | 1.35Å | |
| C32 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C33 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C31 | H8 | sing | 1.08Å | 1.08Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H10 | sing | 1.08Å | 1.08Å | |
| C35 | H11 | sing | 1.09Å | 1.10Å | |
| C35 | H12 | sing | 1.09Å | 1.10Å | |
| C35 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| N21 | H20 | sing | 0.97Å | 1.00Å | |
| N26 | H21 | sing | 0.97Å | 1.00Å | |
| O18 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | O34 | C30 | 112.2° | 117.0° |
| O34 | C35 | H11 | 109.5° | 109.6° |
| O34 | C35 | H12 | 109.5° | 109.4° |
| O34 | C35 | H13 | 109.5° | 109.4° |
| O34 | C30 | C31 | 124.1° | 120.1° |
| O34 | C30 | C29 | 116.0° | 120.0° |
| C31 | C30 | C29 | 119.9° | 119.8° |
| C30 | C31 | C32 | 119.3° | 120.0° |
| C30 | C31 | H8 | 120.3° | 120.0° |
| C30 | C29 | C28 | 121.3° | 119.9° |
| C30 | C29 | H10 | 119.3° | 120.1° |
| C31 | C32 | C33 | 120.2° | 120.1° |
| C31 | C32 | H1 | 119.9° | 120.0° |
| C32 | C31 | H8 | 120.3° | 120.1° |
| C29 | C28 | C33 | 118.5° | 120.1° |
| C29 | C28 | C27 | 118.0° | 120.0° |
| C28 | C29 | H10 | 119.3° | 120.0° |
| C32 | C33 | C28 | 120.7° | 120.1° |
| C33 | C32 | H1 | 119.9° | 119.9° |
| C32 | C33 | H4 | 119.6° | 119.9° |
| C33 | C28 | C27 | 123.4° | 120.0° |
| C28 | C33 | H4 | 119.6° | 119.9° |
| C28 | C27 | N26 | 116.3° | 109.4° |
| C28 | C27 | H16 | 107.7° | 109.5° |
| C28 | C27 | H17 | 107.7° | 109.5° |
| C27 | N26 | C24 | 117.5° | 120.0° |
| N26 | C27 | H16 | 107.7° | 109.4° |
| N26 | C27 | H17 | 107.7° | 109.4° |
| C27 | N26 | H21 | 121.3° | 120.0° |
| O25 | C24 | N26 | 126.5° | 120.0° |
| O25 | C24 | C22 | 118.0° | 120.0° |
| O17 | C16 | C13 | 123.9° | 120.0° |
| O17 | C16 | O18 | 127.1° | 119.9° |
| N26 | C24 | C22 | 115.0° | 120.0° |
| C24 | N26 | H21 | 121.3° | 120.0° |
| C24 | C22 | N21 | 112.2° | 118.4° |
| C24 | C22 | N23 | 121.1° | 118.4° |
| C11 | C12 | C13 | 119.1° | 119.9° |
| C12 | C11 | C10 | 120.4° | 120.1° |
| C11 | C12 | H2 | 120.5° | 120.1° |
| C12 | C11 | H5 | 119.8° | 119.9° |
| C12 | C13 | C16 | 117.8° | 120.2° |
| C12 | C13 | C14 | 121.4° | 119.7° |
| C13 | C12 | H2 | 120.4° | 120.1° |
| C13 | C16 | O18 | 109.1° | 120.0° |
| C16 | C13 | C14 | 120.8° | 120.1° |
| C16 | O18 | H22 | 109.5° | 117.0° |
| C11 | C10 | C9 | 118.0° | 119.8° |
| C11 | C10 | C15 | 120.0° | 120.3° |
| C10 | C11 | H5 | 119.8° | 119.9° |
| C22 | N21 | C19 | 121.4° | 120.4° |
| N21 | C22 | N23 | 126.7° | 123.2° |
| C22 | N21 | H20 | 119.3° | 119.8° |
| N21 | C19 | O20 | 123.5° | 121.3° |
| N21 | C19 | C5 | 114.6° | 117.4° |
| C19 | N21 | H20 | 119.3° | 119.8° |
| C22 | N23 | C4 | 115.6° | 121.7° |
| C13 | C14 | C15 | 118.9° | 119.8° |
| C13 | C14 | H3 | 120.5° | 120.1° |
| O20 | C19 | C5 | 121.9° | 121.3° |
| C19 | C5 | C4 | 119.1° | 118.2° |
| C19 | C5 | C6 | 121.2° | 121.8° |
| N23 | C4 | C5 | 122.6° | 119.2° |
| N23 | C4 | C3 | 118.4° | 121.5° |
| C9 | C10 | C15 | 122.0° | 119.9° |
| C10 | C9 | C8 | 114.9° | 109.5° |
| C10 | C9 | H14 | 108.1° | 109.5° |
| C10 | C9 | H15 | 108.1° | 109.5° |
| C10 | C15 | C14 | 120.2° | 120.2° |
| C10 | C15 | H6 | 119.9° | 119.9° |
| C15 | C14 | H3 | 120.6° | 120.1° |
| C14 | C15 | H6 | 119.9° | 119.9° |
| C9 | C8 | O7 | 108.6° | 109.5° |
| C8 | C9 | H14 | 108.1° | 109.5° |
| C8 | C9 | H15 | 108.1° | 109.4° |
| C9 | C8 | H18 | 109.7° | 109.5° |
| C9 | C8 | H19 | 109.7° | 109.5° |
| C4 | C5 | C6 | 119.7° | 120.0° |
| C5 | C4 | C3 | 119.0° | 119.4° |
| C5 | C6 | O7 | 122.4° | 120.3° |
| C5 | C6 | C1 | 120.4° | 119.4° |
| C4 | C3 | C2 | 121.5° | 119.9° |
| C4 | C3 | H7 | 119.2° | 120.1° |
| C8 | O7 | C6 | 102.6° | 117.0° |
| O7 | C8 | H18 | 109.7° | 109.5° |
| O7 | C8 | H19 | 109.7° | 109.4° |
| O7 | C6 | C1 | 117.2° | 120.3° |
| C6 | C1 | C2 | 120.3° | 120.5° |
| C6 | C1 | F36 | 119.1° | 119.8° |
| C3 | C2 | C1 | 119.1° | 120.9° |
| C2 | C3 | H7 | 119.3° | 120.1° |
| C3 | C2 | H9 | 120.4° | 119.6° |
| C2 | C1 | F36 | 120.6° | 119.8° |
| C1 | C2 | H9 | 120.4° | 119.6° |
| H11 | C35 | H12 | 109.4° | 109.5° |
| H11 | C35 | H13 | 109.4° | 109.4° |
| H12 | C35 | H13 | 109.5° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | O34 | C30 | C31 | 4.7° | 0.1° |
| C35 | O34 | C30 | C29 | 175.5° | 179.4° |
| O34 | C35 | H11 | H12 | 120.0° | 120.0° |
| O34 | C35 | H11 | H13 | 120.0° | 120.0° |
| O34 | C35 | H12 | H13 | 120.0° | 119.9° |
| O34 | C30 | C31 | C29 | 179.8° | 179.4° |
| O34 | C30 | C31 | C32 | 179.4° | 180.0° |
| O34 | C30 | C29 | C28 | 179.0° | 179.7° |
| O34 | C30 | C31 | H8 | 0.6° | 0.0° |
| O34 | C30 | C29 | H10 | 1.0° | 0.3° |
| C30 | O34 | C35 | H11 | 180.0° | 59.9° |
| C30 | O34 | C35 | H12 | 60.0° | 180.0° |
| C30 | O34 | C35 | H13 | 60.0° | 60.0° |
| C30 | C31 | C32 | H8 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 0.8° | 0.9° |
| C30 | C31 | C32 | C33 | 0.1° | 0.0° |
| C30 | C31 | C32 | H1 | 179.9° | 179.7° |
| C31 | C30 | C29 | H10 | 179.2° | 179.7° |
| C29 | C30 | C31 | C32 | 0.4° | 0.6° |
| C30 | C29 | C28 | H10 | 180.0° | 179.4° |
| C30 | C29 | C28 | C33 | 0.7° | 0.6° |
| C30 | C29 | C28 | C27 | 179.8° | 180.0° |
| C29 | C30 | C31 | H8 | 179.6° | 179.4° |
| C31 | C32 | C33 | H1 | 180.0° | 179.7° |
| C31 | C32 | C33 | C28 | 0.3° | 0.3° |
| C31 | C32 | C33 | H4 | 179.7° | 179.7° |
| C29 | C28 | C33 | C32 | 0.1° | 0.0° |
| C29 | C28 | C33 | C27 | 179.5° | 179.4° |
| C29 | C28 | C27 | N26 | 179.8° | 90.0° |
| C29 | C28 | C33 | H4 | 179.9° | 180.0° |
| C29 | C28 | C27 | H16 | 58.8° | 150.1° |
| C29 | C28 | C27 | H17 | 59.2° | 30.0° |
| C32 | C33 | C28 | H4 | 180.0° | 180.0° |
| C32 | C33 | C28 | C27 | 179.6° | 179.5° |
| C33 | C32 | C31 | H8 | 179.9° | 180.0° |
| C33 | C28 | C27 | N26 | 0.3° | 89.4° |
| C28 | C33 | C32 | H1 | 179.7° | 180.0° |
| C33 | C28 | C29 | H10 | 179.3° | 180.0° |
| C33 | C28 | C27 | H16 | 120.7° | 30.5° |
| C33 | C28 | C27 | H17 | 121.3° | 150.6° |
| C28 | C27 | N26 | H16 | 121.0° | 120.0° |
| C28 | C27 | N26 | H17 | 121.0° | 120.0° |
| C28 | C27 | N26 | C24 | 80.9° | 180.0° |
| C27 | C28 | C33 | H4 | 0.4° | 0.6° |
| C27 | C28 | C29 | H10 | 0.2° | 0.6° |
| C28 | C27 | H16 | H17 | 116.9° | 120.1° |
| C28 | C27 | N26 | H21 | 99.0° | 0.0° |
| C27 | N26 | C24 | O25 | 4.3° | 0.1° |
| C27 | N26 | C24 | H21 | 180.0° | 179.9° |
| C27 | N26 | C24 | C22 | 167.0° | 180.0° |
| N26 | C27 | H16 | H17 | 116.9° | 120.0° |
| O25 | C24 | N26 | C22 | 171.3° | 179.9° |
| O25 | C24 | C22 | N21 | 5.6° | 0.1° |
| O25 | C24 | C22 | N23 | 175.4° | 180.0° |
| O25 | C24 | N26 | H21 | 175.8° | 180.0° |
| O17 | C16 | C13 | C12 | 26.0° | 0.1° |
| O17 | C16 | C13 | O18 | 178.4° | 180.0° |
| O17 | C16 | C13 | C14 | 153.8° | 180.0° |
| O17 | C16 | O18 | H22 | 0.0° | 0.0° |
| N26 | C24 | C22 | N21 | 166.4° | 180.0° |
| N26 | C24 | C22 | N23 | 12.6° | 0.1° |
| C24 | N26 | C27 | H16 | 40.0° | 60.0° |
| C24 | N26 | C27 | H17 | 158.1° | 60.0° |
| C24 | C22 | N21 | N23 | 178.9° | 179.9° |
| C24 | C22 | N21 | C19 | 177.1° | 179.9° |
| C24 | C22 | N23 | C4 | 178.2° | 180.0° |
| C24 | C22 | N21 | H20 | 2.9° | 0.1° |
| C22 | C24 | N26 | H21 | 13.0° | 0.1° |
| C11 | C12 | C13 | H2 | 180.0° | 179.7° |
| C11 | C12 | C13 | C16 | 179.6° | 180.0° |
| C12 | C11 | C10 | H5 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C12 | C11 | C10 | C9 | 178.8° | 180.0° |
| C12 | C11 | C10 | C15 | 0.1° | 0.0° |
| C12 | C13 | C16 | C14 | 179.8° | 179.9° |
| C12 | C13 | C16 | O18 | 155.6° | 180.0° |
| C13 | C12 | C11 | C10 | 0.1° | 0.0° |
| C12 | C13 | C14 | C15 | 0.5° | 0.0° |
| C12 | C13 | C14 | H3 | 179.5° | 180.0° |
| C13 | C12 | C11 | H5 | 179.9° | 180.0° |
| C16 | C13 | C14 | C15 | 179.3° | 180.0° |
| C16 | C13 | C12 | H2 | 0.4° | 0.3° |
| C16 | C13 | C14 | H3 | 0.8° | 0.1° |
| C13 | C16 | O18 | H22 | 178.4° | 179.9° |
| O18 | C16 | C13 | C14 | 24.6° | 0.0° |
| C11 | C10 | C9 | C15 | 178.9° | 179.9° |
| C11 | C10 | C15 | C14 | 0.2° | 0.0° |
| C11 | C10 | C9 | C8 | 108.9° | 90.0° |
| C10 | C11 | C12 | H2 | 179.9° | 179.7° |
| C11 | C10 | C15 | H6 | 179.8° | 180.0° |
| C11 | C10 | C9 | H14 | 130.3° | 150.0° |
| C11 | C10 | C9 | H15 | 11.8° | 29.9° |
| C22 | N21 | C19 | H20 | 180.0° | 180.0° |
| C22 | N21 | C19 | O20 | 178.5° | 179.9° |
| C22 | N21 | C19 | C5 | 1.2° | 0.0° |
| N21 | C22 | N23 | C4 | 0.6° | 0.0° |
| C19 | N21 | C22 | N23 | 1.8° | 0.0° |
| N21 | C19 | O20 | C5 | 179.7° | 180.0° |
| N21 | C19 | C5 | C4 | 0.2° | 0.0° |
| N21 | C19 | C5 | C6 | 179.3° | 179.5° |
| C22 | N23 | C4 | C5 | 0.9° | 0.0° |
| C22 | N23 | C4 | C3 | 179.7° | 179.9° |
| N23 | C22 | N21 | H20 | 178.2° | 180.0° |
| C13 | C14 | C15 | C10 | 0.5° | 0.0° |
| C13 | C14 | C15 | H3 | 180.0° | 179.9° |
| C14 | C13 | C12 | H2 | 179.8° | 179.7° |
| C13 | C14 | C15 | H6 | 179.5° | 180.0° |
| O20 | C19 | C5 | C4 | 179.9° | 179.9° |
| O20 | C19 | C5 | C6 | 1.0° | 0.5° |
| O20 | C19 | N21 | H20 | 1.5° | 0.1° |
| C19 | C5 | C4 | N23 | 1.3° | 0.0° |
| C19 | C5 | C4 | C6 | 179.1° | 179.5° |
| C19 | C5 | C4 | C3 | 180.0° | 179.9° |
| C19 | C5 | C6 | O7 | 0.9° | 0.5° |
| C19 | C5 | C6 | C1 | 179.4° | 179.7° |
| C5 | C19 | N21 | H20 | 178.8° | 180.0° |
| N23 | C4 | C5 | C3 | 178.8° | 179.9° |
| N23 | C4 | C5 | C6 | 179.6° | 179.5° |
| N23 | C4 | C3 | C2 | 179.9° | 179.9° |
| N23 | C4 | C3 | H7 | 0.1° | 0.1° |
| C9 | C10 | C15 | C14 | 179.1° | 180.0° |
| C10 | C9 | C8 | H14 | 120.8° | 120.0° |
| C10 | C9 | C8 | H15 | 120.8° | 120.0° |
| C10 | C9 | C8 | O7 | 178.6° | 180.0° |
| C9 | C10 | C11 | H5 | 1.2° | 0.1° |
| C9 | C10 | C15 | H6 | 0.9° | 0.0° |
| C10 | C9 | H14 | H15 | 117.6° | 120.0° |
| C10 | C9 | C8 | H18 | 61.5° | 60.0° |
| C10 | C9 | C8 | H19 | 58.7° | 60.0° |
| C10 | C15 | C14 | H6 | 180.0° | 180.0° |
| C15 | C10 | C9 | C8 | 72.2° | 90.0° |
| C10 | C15 | C14 | H3 | 179.5° | 179.9° |
| C15 | C10 | C11 | H5 | 179.9° | 180.0° |
| C15 | C10 | C9 | H14 | 48.5° | 30.0° |
| C15 | C10 | C9 | H15 | 167.0° | 150.0° |
| C9 | C8 | O7 | H18 | 119.9° | 120.0° |
| C9 | C8 | O7 | H19 | 119.9° | 120.0° |
| C9 | C8 | O7 | C6 | 149.3° | 180.0° |
| C8 | C9 | H14 | H15 | 117.5° | 120.0° |
| C9 | C8 | H18 | H19 | 120.4° | 120.0° |
| C4 | C5 | C6 | O7 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.8° |
| C5 | C4 | C3 | C2 | 1.1° | 0.1° |
| C5 | C4 | C3 | H7 | 178.9° | 179.8° |
| C6 | C5 | C4 | C3 | 0.9° | 0.6° |
| C5 | C6 | O7 | C8 | 104.0° | 90.0° |
| C5 | C6 | O7 | C1 | 179.7° | 179.2° |
| C5 | C6 | C1 | C2 | 0.1° | 0.5° |
| C5 | C6 | C1 | F36 | 180.0° | 180.0° |
| C4 | C3 | C2 | H7 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 0.7° | 0.2° |
| C4 | C3 | C2 | H9 | 179.3° | 179.9° |
| C8 | O7 | C6 | C1 | 75.7° | 90.8° |
| O7 | C8 | C9 | H14 | 57.9° | 60.0° |
| O7 | C8 | C9 | H15 | 60.6° | 60.0° |
| O7 | C8 | H18 | H19 | 120.4° | 119.9° |
| O7 | C6 | C1 | C2 | 179.6° | 179.7° |
| O7 | C6 | C1 | F36 | 0.3° | 0.8° |
| C6 | O7 | C8 | H18 | 29.4° | 59.9° |
| C6 | O7 | C8 | H19 | 90.8° | 60.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | F36 | 179.9° | 179.5° |
| C6 | C1 | C2 | H9 | 179.9° | 179.9° |
| C3 | C2 | C1 | H9 | 180.0° | 179.9° |
| C3 | C2 | C1 | F36 | 179.8° | 179.4° |
| C1 | C2 | C3 | H7 | 179.3° | 179.9° |
| F36 | C1 | C2 | H9 | 0.2° | 0.5° |
| H1 | C32 | C33 | H4 | 0.3° | 0.1° |
| H1 | C32 | C31 | H8 | 0.1° | 0.2° |
| H2 | C12 | C11 | H5 | 0.1° | 0.3° |
| H3 | C14 | C15 | H6 | 0.5° | 0.1° |
| H7 | C3 | C2 | H9 | 0.7° | 0.0° |
| H11 | C35 | H12 | H13 | 119.9° | 120.0° |
| H14 | C9 | C8 | H18 | 177.8° | 180.0° |
| H14 | C9 | C8 | H19 | 62.0° | 60.0° |
| H15 | C9 | C8 | H18 | 59.3° | 60.0° |
| H15 | C9 | C8 | H19 | 179.5° | 180.0° |
| H16 | C27 | N26 | H21 | 140.0° | 120.0° |
| H17 | C27 | N26 | H21 | 21.9° | 120.0° |
