XOH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N13 | C12 | sing | 1.36Å | 1.30Å | Aromatic |
| N13 | C14 | sing | 1.38Å | 1.32Å | Aromatic |
| C12 | C11 | doub | 1.36Å | 1.33Å | Aromatic |
| N15 | C14 | doub | 1.33Å | 1.34Å | Aromatic |
| N15 | C16 | sing | 1.32Å | 1.38Å | Aromatic |
| C14 | C41 | sing | 1.40Å | 1.35Å | Aromatic |
| O1 | C2 | doub | 1.22Å | 1.24Å | |
| C11 | C41 | sing | 1.47Å | 1.36Å | Aromatic |
| C11 | C2 | sing | 1.47Å | 1.35Å | |
| C41 | C18 | doub | 1.40Å | 1.36Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | O19 | sing | 1.36Å | 1.38Å | |
| N3 | C4 | sing | 1.46Å | 1.50Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| F40 | C39 | sing | 1.35Å | 1.41Å | |
| O19 | C20 | sing | 1.36Å | 1.39Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C9 | C5 | sing | 1.41Å | 1.35Å | Aromatic |
| C9 | N8 | doub | 1.30Å | 1.32Å | Aromatic |
| C5 | N6 | doub | 1.30Å | 1.33Å | Aromatic |
| C39 | C20 | doub | 1.39Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| N8 | O7 | sing | 1.42Å | 1.43Å | Aromatic |
| C38 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| N6 | O7 | sing | 1.42Å | 1.44Å | Aromatic |
| C21 | F22 | sing | 1.35Å | 1.12Å | |
| C21 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | N25 | sing | 1.40Å | 1.35Å | |
| N25 | C26 | sing | 1.35Å | 1.36Å | |
| C26 | O27 | doub | 1.22Å | 1.23Å | |
| C26 | N28 | sing | 1.35Å | 1.35Å | |
| N28 | C29 | sing | 1.47Å | 1.47Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | N32 | sing | 1.47Å | 1.48Å | |
| N32 | C37 | sing | 1.47Å | 1.49Å | |
| N32 | C33 | sing | 1.47Å | 1.48Å | |
| C37 | C36 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.50Å | |
| C36 | O35 | sing | 1.43Å | 1.46Å | |
| C34 | O35 | sing | 1.43Å | 1.45Å | |
| C4 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.08Å | 1.08Å | |
| N13 | H4 | sing | 0.97Å | 1.00Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.08Å | 1.08Å | |
| C30 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C33 | H12 | sing | 1.09Å | 1.10Å | |
| C33 | H13 | sing | 1.09Å | 1.10Å | |
| C34 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C36 | H16 | sing | 1.09Å | 1.10Å | |
| C36 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C38 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H22 | sing | 1.09Å | 1.10Å | |
| C29 | H23 | sing | 1.09Å | 1.10Å | |
| N28 | H24 | sing | 0.97Å | 1.00Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| N3 | H26 | sing | 0.97Å | 1.00Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | N13 | C14 | 108.6° | 110.6° |
| N13 | C12 | C11 | 108.2° | 109.7° |
| N13 | C12 | H3 | 125.9° | 125.2° |
| C12 | N13 | H4 | 125.7° | 124.7° |
| N13 | C14 | N15 | 127.5° | 132.9° |
| N13 | C14 | C41 | 109.3° | 107.3° |
| C14 | N13 | H4 | 125.7° | 124.7° |
| C12 | C11 | C41 | 109.2° | 106.4° |
| C12 | C11 | C2 | 118.0° | 126.8° |
| C11 | C12 | H3 | 125.9° | 125.1° |
| C14 | N15 | C16 | 120.1° | 121.8° |
| N15 | C14 | C41 | 123.2° | 119.8° |
| N15 | C16 | C17 | 118.0° | 121.6° |
| N15 | C16 | H5 | 121.0° | 119.1° |
| C14 | C41 | C11 | 104.6° | 106.1° |
| C14 | C41 | C18 | 118.3° | 119.6° |
| O1 | C2 | C11 | 119.3° | 120.0° |
| O1 | C2 | N3 | 121.6° | 120.0° |
| C41 | C11 | C2 | 132.7° | 126.8° |
| C11 | C41 | C18 | 137.1° | 134.3° |
| C11 | C2 | N3 | 118.9° | 120.0° |
| C41 | C18 | C17 | 120.6° | 117.9° |
| C41 | C18 | O19 | 118.6° | 121.1° |
| C16 | C17 | C18 | 119.8° | 119.3° |
| C17 | C16 | H5 | 121.0° | 119.2° |
| C16 | C17 | H6 | 120.1° | 120.3° |
| C2 | N3 | C4 | 122.0° | 120.0° |
| C2 | N3 | H26 | 119.0° | 119.9° |
| C17 | C18 | O19 | 120.8° | 121.0° |
| C18 | C17 | H6 | 120.1° | 120.4° |
| C18 | O19 | C20 | 119.8° | 118.0° |
| N3 | C4 | C5 | 105.3° | 109.4° |
| N3 | C4 | H1 | 110.5° | 109.5° |
| N3 | C4 | H2 | 110.5° | 109.5° |
| C4 | N3 | H26 | 119.0° | 120.1° |
| C10 | C9 | C5 | 127.9° | 125.3° |
| C10 | C9 | N8 | 119.6° | 125.3° |
| C9 | C10 | H27 | 109.5° | 109.5° |
| C9 | C10 | H28 | 109.5° | 109.5° |
| C9 | C10 | H29 | 109.4° | 109.4° |
| F40 | C39 | C20 | 119.6° | 120.0° |
| F40 | C39 | C38 | 121.9° | 120.0° |
| O19 | C20 | C39 | 118.4° | 120.0° |
| O19 | C20 | C21 | 121.3° | 120.0° |
| C4 | C5 | C9 | 128.6° | 125.3° |
| C4 | C5 | N6 | 120.8° | 125.3° |
| C5 | C4 | H1 | 110.5° | 109.4° |
| C5 | C4 | H2 | 110.5° | 109.5° |
| C5 | C9 | N8 | 112.5° | 109.4° |
| C9 | C5 | N6 | 110.5° | 109.4° |
| C9 | N8 | O7 | 104.5° | 107.4° |
| C5 | N6 | O7 | 104.7° | 107.4° |
| C20 | C39 | C38 | 118.4° | 120.0° |
| C39 | C20 | C21 | 120.2° | 120.0° |
| C39 | C38 | C24 | 122.4° | 120.0° |
| C39 | C38 | H20 | 118.8° | 120.0° |
| C20 | C21 | F22 | 120.5° | 120.0° |
| C20 | C21 | C23 | 121.3° | 120.0° |
| N8 | O7 | N6 | 107.8° | 106.4° |
| C38 | C24 | C23 | 118.5° | 120.0° |
| C38 | C24 | N25 | 116.4° | 120.0° |
| C24 | C38 | H20 | 118.8° | 120.0° |
| F22 | C21 | C23 | 118.2° | 120.0° |
| C21 | C23 | C24 | 119.2° | 120.0° |
| C21 | C23 | H7 | 120.4° | 120.0° |
| C23 | C24 | N25 | 125.2° | 120.0° |
| C24 | C23 | H7 | 120.4° | 120.0° |
| C24 | N25 | C26 | 124.5° | 120.0° |
| C24 | N25 | H25 | 117.8° | 120.0° |
| N25 | C26 | O27 | 123.4° | 119.9° |
| N25 | C26 | N28 | 114.6° | 120.0° |
| C26 | N25 | H25 | 117.7° | 120.0° |
| O27 | C26 | N28 | 122.1° | 120.0° |
| C26 | N28 | C29 | 125.3° | 120.0° |
| C26 | N28 | H24 | 117.4° | 120.0° |
| N28 | C29 | C30 | 104.1° | 109.5° |
| N28 | C29 | H22 | 110.8° | 109.5° |
| N28 | C29 | H23 | 110.8° | 109.5° |
| C29 | N28 | H24 | 117.4° | 120.0° |
| C29 | C30 | C31 | 104.3° | 109.5° |
| C29 | C30 | H8 | 110.7° | 109.5° |
| C29 | C30 | H9 | 110.7° | 109.4° |
| C30 | C29 | H22 | 110.8° | 109.5° |
| C30 | C29 | H23 | 110.8° | 109.5° |
| C30 | C31 | N32 | 108.9° | 109.5° |
| C31 | C30 | H8 | 110.7° | 109.5° |
| C31 | C30 | H9 | 110.8° | 109.5° |
| C30 | C31 | H10 | 109.6° | 109.5° |
| C30 | C31 | H11 | 109.6° | 109.5° |
| C31 | N32 | C37 | 111.7° | 111.1° |
| C31 | N32 | C33 | 107.8° | 111.0° |
| N32 | C31 | H10 | 109.6° | 109.4° |
| N32 | C31 | H11 | 109.6° | 109.4° |
| C37 | N32 | C33 | 109.9° | 110.7° |
| N32 | C37 | C36 | 107.7° | 109.3° |
| N32 | C37 | H18 | 109.9° | 109.5° |
| N32 | C37 | H19 | 109.9° | 109.6° |
| N32 | C33 | C34 | 113.5° | 109.3° |
| N32 | C33 | H12 | 108.4° | 109.5° |
| N32 | C33 | H13 | 108.4° | 109.6° |
| C37 | C36 | O35 | 111.3° | 109.3° |
| C37 | C36 | H16 | 109.0° | 109.5° |
| C37 | C36 | H17 | 109.0° | 109.5° |
| C36 | C37 | H18 | 109.9° | 109.5° |
| C36 | C37 | H19 | 109.9° | 109.5° |
| C33 | C34 | O35 | 105.5° | 109.2° |
| C34 | C33 | H12 | 108.5° | 109.6° |
| C34 | C33 | H13 | 108.5° | 109.5° |
| C33 | C34 | H14 | 110.5° | 109.5° |
| C33 | C34 | H15 | 110.5° | 109.5° |
| C36 | O35 | C34 | 111.8° | 113.8° |
| O35 | C36 | H16 | 109.0° | 109.5° |
| O35 | C36 | H17 | 109.0° | 109.5° |
| O35 | C34 | H14 | 110.5° | 109.5° |
| O35 | C34 | H15 | 110.5° | 109.5° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H8 | C30 | H9 | 109.5° | 109.5° |
| H10 | C31 | H11 | 109.5° | 109.5° |
| H12 | C33 | H13 | 109.5° | 109.5° |
| H14 | C34 | H15 | 109.4° | 109.6° |
| H16 | C36 | H17 | 109.5° | 109.5° |
| H18 | C37 | H19 | 109.5° | 109.5° |
| H22 | C29 | H23 | 109.5° | 109.5° |
| H27 | C10 | H28 | 109.5° | 109.5° |
| H27 | C10 | H29 | 109.5° | 109.4° |
| H28 | C10 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | N13 | C14 | H4 | 180.0° | 179.9° |
| N13 | C12 | C11 | H3 | 180.0° | 180.0° |
| C12 | N13 | C14 | N15 | 179.3° | 180.0° |
| C12 | N13 | C14 | C41 | 0.0° | 0.0° |
| N13 | C12 | C11 | C41 | 2.0° | 0.1° |
| N13 | C12 | C11 | C2 | 179.4° | 179.7° |
| C14 | N13 | C12 | C11 | 1.2° | 0.0° |
| N13 | C14 | N15 | C41 | 179.2° | 179.9° |
| N13 | C14 | N15 | C16 | 179.5° | 180.0° |
| N13 | C14 | C41 | C11 | 1.2° | 0.1° |
| N13 | C14 | C41 | C18 | 179.7° | 179.8° |
| C14 | N13 | C12 | H3 | 178.8° | 180.0° |
| C12 | C11 | C41 | C14 | 2.0° | 0.1° |
| C12 | C11 | C2 | O1 | 17.8° | 179.4° |
| C12 | C11 | C41 | C2 | 176.8° | 179.7° |
| C12 | C11 | C41 | C18 | 179.2° | 179.7° |
| C12 | C11 | C2 | N3 | 158.7° | 0.4° |
| C11 | C12 | N13 | H4 | 178.8° | 179.9° |
| N15 | C14 | C41 | C11 | 179.5° | 180.0° |
| N15 | C14 | C41 | C18 | 0.4° | 0.2° |
| C14 | N15 | C16 | C17 | 1.3° | 0.2° |
| N15 | C14 | N13 | H4 | 0.7° | 0.1° |
| C14 | N15 | C16 | H5 | 178.7° | 179.9° |
| C16 | N15 | C14 | C41 | 1.3° | 0.1° |
| N15 | C16 | C17 | H5 | 180.0° | 179.8° |
| N15 | C16 | C17 | C18 | 0.4° | 0.1° |
| N15 | C16 | C17 | H6 | 179.6° | 179.9° |
| C14 | C41 | C11 | C18 | 178.8° | 179.8° |
| C14 | C41 | C11 | C2 | 178.8° | 179.8° |
| C14 | C41 | C18 | C17 | 0.5° | 0.3° |
| C14 | C41 | C18 | O19 | 177.9° | 179.7° |
| C41 | C14 | N13 | H4 | 180.0° | 180.0° |
| O1 | C2 | C11 | C41 | 158.8° | 0.2° |
| O1 | C2 | C11 | N3 | 176.5° | 179.7° |
| O1 | C2 | N3 | C4 | 8.8° | 0.3° |
| O1 | C2 | N3 | H26 | 171.2° | 179.7° |
| C41 | C11 | C2 | N3 | 24.7° | 180.0° |
| C11 | C41 | C18 | C17 | 178.2° | 180.0° |
| C11 | C41 | C18 | O19 | 0.7° | 0.0° |
| C41 | C11 | C12 | H3 | 178.0° | 180.0° |
| C2 | C11 | C41 | C18 | 2.4° | 0.0° |
| C11 | C2 | N3 | C4 | 174.8° | 180.0° |
| C2 | C11 | C12 | H3 | 0.6° | 0.3° |
| C11 | C2 | N3 | H26 | 5.2° | 0.0° |
| C41 | C18 | C17 | C16 | 0.5° | 0.1° |
| C41 | C18 | C17 | O19 | 177.4° | 180.0° |
| C41 | C18 | O19 | C20 | 162.8° | 180.0° |
| C41 | C18 | C17 | H6 | 179.5° | 179.9° |
| C16 | C17 | C18 | H6 | 180.0° | 180.0° |
| C16 | C17 | C18 | O19 | 177.9° | 179.9° |
| C2 | N3 | C4 | H26 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 116.4° | 180.0° |
| C2 | N3 | C4 | H1 | 2.9° | 60.1° |
| C2 | N3 | C4 | H2 | 124.3° | 60.0° |
| C17 | C18 | O19 | C20 | 19.7° | 0.0° |
| C18 | C17 | C16 | H5 | 179.6° | 180.0° |
| C18 | O19 | C20 | C39 | 75.3° | 90.0° |
| C18 | O19 | C20 | C21 | 106.3° | 89.4° |
| O19 | C18 | C17 | H6 | 2.1° | 0.1° |
| N3 | C4 | C5 | H1 | 119.3° | 120.0° |
| N3 | C4 | C5 | H2 | 119.3° | 120.0° |
| N3 | C4 | C5 | C9 | 93.7° | 90.3° |
| N3 | C4 | C5 | N6 | 81.9° | 90.1° |
| N3 | C4 | H1 | H2 | 121.9° | 120.1° |
| C10 | C9 | C5 | C4 | 4.0° | 0.0° |
| C10 | C9 | C5 | N8 | 178.5° | 179.8° |
| C10 | C9 | C5 | N6 | 180.0° | 179.7° |
| C10 | C9 | N8 | O7 | 179.9° | 179.7° |
| C9 | C10 | H27 | H28 | 120.0° | 120.0° |
| C9 | C10 | H27 | H29 | 120.0° | 119.9° |
| C9 | C10 | H28 | H29 | 120.0° | 120.0° |
| F40 | C39 | C20 | O19 | 0.8° | 0.5° |
| F40 | C39 | C20 | C38 | 180.0° | 179.5° |
| F40 | C39 | C20 | C21 | 179.2° | 179.9° |
| F40 | C39 | C38 | C24 | 179.2° | 179.8° |
| F40 | C39 | C38 | H20 | 0.8° | 0.2° |
| O19 | C20 | C39 | C21 | 178.4° | 179.4° |
| O19 | C20 | C39 | C38 | 179.2° | 180.0° |
| O19 | C20 | C21 | F22 | 1.3° | 0.3° |
| O19 | C20 | C21 | C23 | 179.3° | 180.0° |
| C4 | C5 | C9 | N6 | 176.0° | 179.7° |
| C4 | C5 | C9 | N8 | 177.5° | 179.8° |
| C4 | C5 | N6 | O7 | 177.3° | 180.0° |
| C5 | C4 | H1 | H2 | 122.0° | 120.0° |
| C5 | C4 | N3 | H26 | 63.6° | 0.0° |
| C5 | C9 | N8 | O7 | 1.2° | 0.5° |
| C9 | C5 | N6 | O7 | 1.0° | 0.3° |
| C9 | C5 | C4 | H1 | 25.6° | 29.7° |
| C9 | C5 | C4 | H2 | 147.0° | 149.7° |
| C5 | C9 | C10 | H27 | 178.4° | 90.0° |
| C5 | C9 | C10 | H28 | 61.6° | 150.0° |
| C5 | C9 | C10 | H29 | 58.4° | 30.0° |
| N8 | C9 | C5 | N6 | 1.5° | 0.5° |
| C9 | N8 | O7 | N6 | 0.6° | 0.3° |
| N8 | C9 | C10 | H27 | 0.0° | 89.8° |
| N8 | C9 | C10 | H28 | 120.0° | 30.3° |
| N8 | C9 | C10 | H29 | 120.0° | 150.3° |
| C5 | N6 | O7 | N8 | 0.3° | 0.1° |
| N6 | C5 | C4 | H1 | 158.8° | 149.9° |
| N6 | C5 | C4 | H2 | 37.4° | 29.9° |
| C20 | C39 | C38 | C24 | 0.7° | 0.3° |
| C39 | C20 | C21 | F22 | 179.7° | 179.8° |
| C39 | C20 | C21 | C23 | 0.9° | 0.6° |
| C20 | C39 | C38 | H20 | 179.3° | 179.7° |
| C38 | C39 | C20 | C21 | 0.8° | 0.6° |
| C39 | C38 | C24 | H20 | 180.0° | 180.0° |
| C39 | C38 | C24 | C23 | 0.8° | 0.1° |
| C39 | C38 | C24 | N25 | 179.7° | 180.0° |
| C20 | C21 | F22 | C23 | 179.4° | 179.7° |
| C20 | C21 | C23 | C24 | 1.0° | 0.3° |
| C20 | C21 | C23 | H7 | 179.0° | 179.7° |
| C38 | C24 | C23 | C21 | 0.9° | 0.1° |
| C38 | C24 | C23 | N25 | 178.8° | 179.9° |
| C38 | C24 | N25 | C26 | 140.1° | 146.7° |
| C38 | C24 | C23 | H7 | 179.1° | 180.0° |
| C38 | C24 | N25 | H25 | 39.9° | 33.3° |
| F22 | C21 | C23 | C24 | 179.7° | 180.0° |
| F22 | C21 | C23 | H7 | 0.4° | 0.1° |
| C21 | C23 | C24 | H7 | 180.0° | 179.9° |
| C21 | C23 | C24 | N25 | 179.7° | 180.0° |
| C23 | C24 | N25 | C26 | 41.1° | 33.3° |
| C23 | C24 | C38 | H20 | 179.2° | 179.9° |
| C23 | C24 | N25 | H25 | 138.9° | 146.6° |
| C24 | N25 | C26 | H25 | 180.0° | 180.0° |
| C24 | N25 | C26 | O27 | 4.0° | 5.3° |
| C24 | N25 | C26 | N28 | 176.5° | 174.7° |
| N25 | C24 | C23 | H7 | 0.3° | 0.1° |
| N25 | C24 | C38 | H20 | 0.3° | 0.0° |
| N25 | C26 | O27 | N28 | 179.5° | 180.0° |
| N25 | C26 | N28 | C29 | 179.2° | 180.0° |
| N25 | C26 | N28 | H24 | 0.7° | 0.0° |
| O27 | C26 | N28 | C29 | 0.3° | 0.0° |
| O27 | C26 | N28 | H24 | 179.7° | 179.9° |
| O27 | C26 | N25 | H25 | 176.0° | 174.8° |
| C26 | N28 | C29 | H24 | 180.0° | 180.0° |
| C26 | N28 | C29 | C30 | 131.5° | 180.0° |
| C26 | N28 | C29 | H22 | 12.4° | 60.0° |
| C26 | N28 | C29 | H23 | 109.3° | 60.0° |
| N28 | C26 | N25 | H25 | 3.5° | 5.3° |
| N28 | C29 | C30 | H22 | 119.1° | 120.0° |
| N28 | C29 | C30 | H23 | 119.1° | 120.0° |
| N28 | C29 | C30 | C31 | 178.5° | 180.0° |
| N28 | C29 | C30 | H8 | 59.3° | 60.0° |
| N28 | C29 | C30 | H9 | 62.4° | 60.0° |
| N28 | C29 | H22 | H23 | 122.5° | 120.0° |
| C29 | C30 | C31 | H8 | 119.2° | 120.0° |
| C29 | C30 | C31 | H9 | 119.2° | 120.0° |
| C29 | C30 | C31 | N32 | 179.5° | 180.0° |
| C29 | C30 | H8 | H9 | 122.4° | 120.0° |
| C29 | C30 | C31 | H10 | 59.6° | 60.0° |
| C29 | C30 | C31 | H11 | 60.6° | 60.0° |
| C30 | C29 | H22 | H23 | 122.5° | 120.0° |
| C30 | C29 | N28 | H24 | 48.5° | 0.1° |
| C30 | C31 | N32 | H10 | 119.9° | 120.1° |
| C30 | C31 | N32 | H11 | 119.9° | 120.0° |
| C30 | C31 | N32 | C37 | 113.9° | 170.0° |
| C30 | C31 | N32 | C33 | 125.2° | 66.4° |
| C31 | C30 | H8 | H9 | 122.4° | 120.1° |
| C30 | C31 | H10 | H11 | 120.3° | 120.0° |
| C31 | C30 | C29 | H22 | 62.4° | 60.0° |
| C31 | C30 | C29 | H23 | 59.3° | 60.0° |
| C31 | N32 | C37 | C33 | 119.7° | 123.8° |
| C31 | N32 | C37 | C36 | 173.7° | 177.6° |
| C31 | N32 | C33 | C34 | 179.1° | 177.6° |
| N32 | C31 | C30 | H8 | 61.3° | 60.0° |
| N32 | C31 | C30 | H9 | 60.4° | 60.0° |
| N32 | C31 | H10 | H11 | 120.3° | 119.9° |
| C31 | N32 | C33 | H12 | 58.5° | 62.5° |
| C31 | N32 | C33 | H13 | 60.3° | 57.6° |
| C31 | N32 | C37 | H18 | 54.0° | 57.7° |
| C31 | N32 | C37 | H19 | 66.6° | 62.4° |
| N32 | C37 | C36 | H18 | 119.7° | 119.9° |
| N32 | C37 | C36 | H19 | 119.7° | 120.0° |
| C37 | N32 | C33 | C34 | 58.9° | 58.6° |
| N32 | C37 | C36 | O35 | 56.7° | 56.9° |
| C37 | N32 | C31 | H10 | 126.2° | 69.9° |
| C37 | N32 | C31 | H11 | 6.0° | 50.0° |
| C37 | N32 | C33 | H12 | 179.5° | 61.4° |
| C37 | N32 | C33 | H13 | 61.7° | 178.6° |
| N32 | C37 | C36 | H16 | 177.0° | 176.8° |
| N32 | C37 | C36 | H17 | 63.5° | 63.1° |
| N32 | C37 | H18 | H19 | 120.9° | 120.1° |
| C33 | N32 | C37 | C36 | 54.0° | 58.6° |
| N32 | C33 | C34 | H12 | 120.6° | 119.9° |
| N32 | C33 | C34 | H13 | 120.6° | 120.0° |
| N32 | C33 | C34 | O35 | 59.8° | 56.8° |
| C33 | N32 | C31 | H10 | 5.3° | 53.7° |
| C33 | N32 | C31 | H11 | 114.9° | 173.6° |
| N32 | C33 | H12 | H13 | 118.1° | 120.1° |
| N32 | C33 | C34 | H14 | 59.6° | 63.1° |
| N32 | C33 | C34 | H15 | 179.1° | 176.7° |
| C33 | N32 | C37 | H18 | 65.7° | 178.5° |
| C33 | N32 | C37 | H19 | 173.7° | 61.4° |
| C37 | C36 | O35 | H16 | 120.3° | 120.0° |
| C37 | C36 | O35 | H17 | 120.3° | 120.0° |
| C37 | C36 | O35 | C34 | 62.7° | 58.7° |
| C37 | C36 | H16 | H17 | 119.2° | 120.1° |
| C36 | C37 | H18 | H19 | 120.8° | 120.1° |
| C33 | C34 | O35 | C36 | 60.7° | 58.7° |
| C33 | C34 | O35 | H14 | 119.4° | 119.9° |
| C33 | C34 | O35 | H15 | 119.4° | 119.9° |
| C34 | C33 | H12 | H13 | 118.2° | 120.1° |
| C33 | C34 | H14 | H15 | 121.9° | 120.1° |
| C36 | O35 | C34 | H14 | 58.7° | 61.2° |
| C36 | O35 | C34 | H15 | 179.9° | 178.6° |
| O35 | C36 | H16 | H17 | 119.1° | 120.1° |
| O35 | C36 | C37 | H18 | 63.0° | 176.8° |
| O35 | C36 | C37 | H19 | 176.5° | 63.2° |
| O35 | C34 | C33 | H12 | 179.6° | 63.1° |
| O35 | C34 | C33 | H13 | 60.8° | 176.8° |
| O35 | C34 | H14 | H15 | 121.8° | 120.2° |
| C34 | O35 | C36 | H16 | 177.0° | 178.6° |
| C34 | O35 | C36 | H17 | 57.6° | 61.3° |
| H1 | C4 | N3 | H26 | 177.1° | 120.0° |
| H2 | C4 | N3 | H26 | 55.7° | 120.0° |
| H3 | C12 | N13 | H4 | 1.2° | 0.0° |
| H5 | C16 | C17 | H6 | 0.4° | 0.1° |
| H8 | C30 | C31 | H10 | 178.8° | 60.0° |
| H8 | C30 | C31 | H11 | 58.6° | 180.0° |
| H8 | C30 | C29 | H22 | 178.4° | 180.0° |
| H8 | C30 | C29 | H23 | 59.8° | 60.0° |
| H9 | C30 | C31 | H10 | 59.6° | 180.0° |
| H9 | C30 | C31 | H11 | 179.8° | 60.0° |
| H9 | C30 | C29 | H22 | 56.8° | 60.0° |
| H9 | C30 | C29 | H23 | 178.5° | 179.9° |
| H12 | C33 | C34 | H14 | 61.0° | 177.0° |
| H12 | C33 | C34 | H15 | 60.3° | 56.8° |
| H13 | C33 | C34 | H14 | 179.8° | 56.9° |
| H13 | C33 | C34 | H15 | 58.6° | 63.3° |
| H16 | C36 | C37 | H18 | 57.3° | 63.3° |
| H16 | C36 | C37 | H19 | 63.2° | 56.8° |
| H17 | C36 | C37 | H18 | 176.8° | 56.8° |
| H17 | C36 | C37 | H19 | 56.2° | 176.9° |
| H22 | C29 | N28 | H24 | 167.6° | 120.0° |
| H23 | C29 | N28 | H24 | 70.7° | 119.9° |
| H27 | C10 | H28 | H29 | 120.0° | 120.0° |
