HB5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | N27 | sing | 1.47Å | 1.49Å | |
| C30 | N27 | sing | 1.47Å | 1.50Å | |
| C29 | N24 | sing | 1.47Å | 1.48Å | |
| N27 | C26 | sing | 1.47Å | 1.49Å | |
| O31 | S23 | doub | 1.42Å | 1.45Å | |
| N24 | C25 | sing | 1.47Å | 1.49Å | |
| N24 | S23 | sing | 1.66Å | 1.73Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| S23 | C20 | sing | 1.76Å | 1.78Å | |
| S23 | O32 | doub | 1.42Å | 1.46Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.43Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C14 | sing | 1.48Å | 1.48Å | |
| C17 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C2 | sing | 1.51Å | 1.51Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.56Å | |
| N38 | C37 | doub | 1.28Å | 1.28Å | |
| C13 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C37 | C1 | sing | 1.51Å | 1.46Å | |
| C3 | C1 | sing | 1.53Å | 1.54Å | |
| O7 | C5 | doub | 1.21Å | 1.24Å | |
| C1 | N4 | sing | 1.46Å | 1.44Å | |
| C5 | N4 | sing | 1.35Å | 1.36Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| N8 | C6 | sing | 1.47Å | 1.48Å | |
| C6 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C33 | doub | 1.33Å | 1.36Å | Aromatic |
| C10 | S36 | sing | 1.76Å | 1.74Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.44Å | Aromatic |
| S36 | C35 | sing | 1.76Å | 1.76Å | Aromatic |
| C34 | C35 | doub | 1.33Å | 1.38Å | Aromatic |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N38 | H5 | sing | 0.97Å | 1.00Å | |
| C37 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C35 | H10 | sing | 1.08Å | 1.08Å | |
| C34 | H11 | sing | 1.08Å | 1.08Å | |
| C33 | H12 | sing | 1.08Å | 1.08Å | |
| N8 | H13 | sing | 1.01Å | 1.00Å | |
| N8 | H14 | sing | 1.01Å | 1.00Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.08Å | 1.08Å | |
| C22 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C28 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C29 | C28 | N27 | 110.1° | 109.3° |
| C28 | C29 | N24 | 109.7° | 108.5° |
| C28 | C29 | H24 | 109.4° | 109.6° |
| C28 | C29 | H25 | 109.4° | 109.8° |
| C29 | C28 | H26 | 109.3° | 109.5° |
| C29 | C28 | H27 | 109.3° | 109.5° |
| C28 | N27 | C30 | 114.0° | 111.0° |
| C28 | N27 | C26 | 110.3° | 111.2° |
| N27 | C28 | H26 | 109.3° | 109.5° |
| N27 | C28 | H27 | 109.3° | 109.5° |
| C30 | N27 | C26 | 114.5° | 111.0° |
| N27 | C30 | H29 | 109.5° | 109.5° |
| N27 | C30 | H30 | 109.5° | 109.5° |
| N27 | C30 | H31 | 109.5° | 109.5° |
| C29 | N24 | C25 | 117.6° | 118.2° |
| C29 | N24 | S23 | 118.8° | 120.9° |
| N24 | C29 | H24 | 109.4° | 109.6° |
| N24 | C29 | H25 | 109.4° | 109.6° |
| N27 | C26 | C25 | 112.6° | 109.4° |
| N27 | C26 | H32 | 108.7° | 109.5° |
| N27 | C26 | H33 | 108.7° | 109.5° |
| O31 | S23 | N24 | 105.8° | 106.4° |
| O31 | S23 | C20 | 108.0° | 106.4° |
| O31 | S23 | O32 | 126.1° | 123.1° |
| C25 | N24 | S23 | 117.5° | 120.9° |
| N24 | C25 | C26 | 114.5° | 108.5° |
| N24 | C25 | H34 | 108.2° | 109.6° |
| N24 | C25 | H35 | 108.2° | 109.6° |
| N24 | S23 | C20 | 100.6° | 107.2° |
| N24 | S23 | O32 | 104.2° | 106.4° |
| C25 | C26 | H32 | 108.7° | 109.5° |
| C25 | C26 | H33 | 108.7° | 109.5° |
| C26 | C25 | H34 | 108.2° | 109.4° |
| C26 | C25 | H35 | 108.2° | 109.9° |
| C22 | C21 | C20 | 118.5° | 120.1° |
| C21 | C22 | C17 | 121.5° | 119.9° |
| C21 | C22 | H20 | 119.2° | 120.1° |
| C22 | C21 | H21 | 120.8° | 119.9° |
| C21 | C20 | S23 | 120.3° | 119.9° |
| C21 | C20 | C19 | 121.2° | 120.2° |
| C20 | C21 | H21 | 120.8° | 120.0° |
| C22 | C17 | C14 | 121.4° | 120.1° |
| C22 | C17 | C18 | 119.1° | 119.8° |
| C17 | C22 | H20 | 119.2° | 120.1° |
| C20 | S23 | O32 | 109.2° | 106.4° |
| S23 | C20 | C19 | 118.5° | 119.9° |
| C16 | C15 | C14 | 121.0° | 119.9° |
| C15 | C16 | C11 | 120.5° | 120.1° |
| C15 | C16 | H16 | 119.8° | 119.9° |
| C16 | C15 | H17 | 119.5° | 120.1° |
| C15 | C14 | C17 | 121.0° | 120.1° |
| C15 | C14 | C13 | 117.5° | 119.8° |
| C14 | C15 | H17 | 119.5° | 120.1° |
| C16 | C11 | C2 | 120.0° | 119.9° |
| C16 | C11 | C12 | 118.8° | 120.3° |
| C11 | C16 | H16 | 119.8° | 119.9° |
| C20 | C19 | C18 | 119.0° | 120.1° |
| C20 | C19 | H22 | 120.5° | 119.9° |
| C14 | C17 | C18 | 119.4° | 120.1° |
| C17 | C14 | C13 | 121.2° | 120.1° |
| C17 | C18 | C19 | 120.7° | 119.9° |
| C17 | C18 | H23 | 119.6° | 120.0° |
| C14 | C13 | C12 | 121.2° | 119.9° |
| C14 | C13 | H18 | 119.4° | 120.0° |
| C18 | C19 | H22 | 120.5° | 119.9° |
| C19 | C18 | H23 | 119.7° | 120.1° |
| C2 | C11 | C12 | 121.1° | 119.8° |
| C11 | C2 | C3 | 118.1° | 117.5° |
| C11 | C2 | C1 | 125.6° | 117.5° |
| C11 | C2 | H4 | 114.1° | 115.6° |
| C11 | C12 | C13 | 120.8° | 120.1° |
| C11 | C12 | H19 | 119.6° | 120.0° |
| C3 | C2 | C1 | 60.4° | 60.0° |
| C2 | C3 | C1 | 61.7° | 60.0° |
| C2 | C3 | H2 | 119.7° | 117.6° |
| C2 | C3 | H3 | 119.7° | 117.5° |
| C3 | C2 | H4 | 114.4° | 117.5° |
| C2 | C1 | C37 | 120.1° | 117.5° |
| C2 | C1 | C3 | 58.0° | 60.0° |
| C2 | C1 | N4 | 120.5° | 117.5° |
| C1 | C2 | H4 | 113.5° | 117.5° |
| N38 | C37 | C1 | 116.4° | 120.0° |
| C37 | N38 | H5 | 112.0° | 120.0° |
| N38 | C37 | H6 | 121.8° | 120.0° |
| C12 | C13 | H18 | 119.4° | 120.1° |
| C13 | C12 | H19 | 119.6° | 119.9° |
| C37 | C1 | C3 | 121.5° | 117.5° |
| C37 | C1 | N4 | 110.2° | 115.5° |
| C1 | C37 | H6 | 121.8° | 120.0° |
| C3 | C1 | N4 | 118.0° | 117.5° |
| C1 | C3 | H2 | 119.7° | 117.5° |
| C1 | C3 | H3 | 119.7° | 117.5° |
| O7 | C5 | N4 | 125.6° | 120.0° |
| O7 | C5 | C6 | 119.1° | 120.0° |
| C1 | N4 | C5 | 127.2° | 120.0° |
| C1 | N4 | H7 | 116.4° | 120.0° |
| N4 | C5 | C6 | 115.3° | 120.0° |
| C5 | N4 | H7 | 116.4° | 119.9° |
| C5 | C6 | N8 | 113.6° | 109.5° |
| C5 | C6 | C9 | 106.3° | 109.5° |
| C5 | C6 | H1 | 109.0° | 109.5° |
| N8 | C6 | C9 | 109.3° | 109.5° |
| N8 | C6 | H1 | 109.6° | 109.5° |
| C6 | N8 | H13 | 109.5° | 111.0° |
| C6 | N8 | H14 | 109.5° | 111.0° |
| C6 | C9 | C10 | 114.1° | 109.5° |
| C9 | C6 | H1 | 108.9° | 109.4° |
| C6 | C9 | H8 | 108.3° | 109.4° |
| C6 | C9 | H9 | 108.3° | 109.5° |
| C9 | C10 | C33 | 129.3° | 125.2° |
| C9 | C10 | S36 | 118.9° | 125.2° |
| C10 | C9 | H8 | 108.3° | 109.5° |
| C10 | C9 | H9 | 108.3° | 109.5° |
| C33 | C10 | S36 | 111.8° | 109.6° |
| C10 | C33 | C34 | 112.5° | 114.9° |
| C10 | C33 | H12 | 123.7° | 122.5° |
| C10 | S36 | C35 | 92.1° | 91.0° |
| C33 | C34 | C35 | 113.8° | 114.9° |
| C33 | C34 | H11 | 123.1° | 122.5° |
| C34 | C33 | H12 | 123.7° | 122.6° |
| S36 | C35 | C34 | 109.8° | 109.6° |
| S36 | C35 | H10 | 125.1° | 125.2° |
| C34 | C35 | H10 | 125.1° | 125.2° |
| C35 | C34 | H11 | 123.1° | 122.6° |
| H2 | C3 | H3 | 109.5° | 115.5° |
| H8 | C9 | H9 | 109.5° | 109.4° |
| H13 | N8 | H14 | 109.5° | 111.0° |
| H24 | C29 | H25 | 109.5° | 109.6° |
| H26 | C28 | H27 | 109.5° | 109.6° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H31 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.4° | 109.5° |
| H32 | C26 | H33 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C29 | C28 | N27 | H26 | 120.1° | 119.9° |
| C29 | C28 | N27 | H27 | 120.1° | 119.9° |
| C29 | C28 | N27 | C30 | 66.8° | 172.8° |
| C28 | C29 | N24 | H24 | 120.0° | 119.7° |
| C28 | C29 | N24 | H25 | 120.0° | 119.9° |
| C29 | C28 | N27 | C26 | 63.7° | 63.1° |
| C28 | C29 | N24 | C25 | 46.4° | 51.2° |
| C28 | C29 | N24 | S23 | 161.6° | 129.1° |
| C28 | C29 | H24 | H25 | 119.9° | 120.6° |
| C29 | C28 | H26 | H27 | 119.7° | 120.1° |
| C28 | N27 | C30 | C26 | 128.3° | 124.3° |
| N27 | C28 | C29 | N24 | 58.5° | 53.8° |
| C28 | N27 | C26 | C25 | 54.0° | 63.1° |
| N27 | C28 | C29 | H24 | 178.5° | 173.6° |
| N27 | C28 | C29 | H25 | 61.5° | 66.0° |
| N27 | C28 | H26 | H27 | 119.7° | 120.1° |
| C28 | N27 | C30 | H29 | 180.0° | 60.0° |
| C28 | N27 | C30 | H30 | 60.0° | 180.0° |
| C28 | N27 | C30 | H31 | 60.0° | 60.0° |
| C28 | N27 | C26 | H32 | 174.4° | 56.9° |
| C28 | N27 | C26 | H33 | 66.5° | 176.9° |
| C30 | N27 | C26 | C25 | 76.2° | 172.7° |
| C30 | N27 | C28 | H26 | 53.3° | 67.3° |
| C30 | N27 | C28 | H27 | 173.2° | 52.8° |
| N27 | C30 | H29 | H30 | 120.0° | 120.0° |
| N27 | C30 | H29 | H31 | 120.0° | 120.0° |
| N27 | C30 | H30 | H31 | 120.0° | 120.0° |
| C30 | N27 | C26 | H32 | 44.2° | 67.3° |
| C30 | N27 | C26 | H33 | 163.3° | 52.8° |
| C29 | N24 | S23 | O31 | 35.1° | 156.7° |
| C29 | N24 | C25 | S23 | 152.4° | 179.7° |
| C29 | N24 | C25 | C26 | 38.2° | 51.2° |
| C29 | N24 | S23 | C20 | 77.1° | 89.7° |
| C29 | N24 | S23 | O32 | 169.8° | 23.8° |
| N24 | C29 | H24 | H25 | 119.9° | 120.4° |
| N24 | C29 | C28 | H26 | 178.6° | 66.1° |
| N24 | C29 | C28 | H27 | 61.6° | 173.8° |
| C29 | N24 | C25 | H34 | 158.9° | 68.2° |
| C29 | N24 | C25 | H35 | 82.5° | 171.2° |
| N27 | C26 | C25 | N24 | 40.7° | 53.9° |
| N27 | C26 | C25 | H32 | 120.5° | 120.0° |
| N27 | C26 | C25 | H33 | 120.5° | 119.9° |
| C26 | N27 | C28 | H26 | 176.2° | 56.8° |
| C26 | N27 | C28 | H27 | 56.4° | 177.0° |
| C26 | N27 | C30 | H29 | 51.7° | 175.7° |
| C26 | N27 | C30 | H30 | 68.3° | 55.7° |
| C26 | N27 | C30 | H31 | 171.7° | 64.3° |
| N27 | C26 | H32 | H33 | 118.6° | 120.0° |
| N27 | C26 | C25 | H34 | 161.4° | 65.7° |
| N27 | C26 | C25 | H35 | 80.1° | 173.7° |
| O31 | S23 | N24 | C25 | 172.8° | 23.6° |
| O31 | S23 | N24 | C20 | 112.3° | 113.6° |
| O31 | S23 | N24 | O32 | 134.7° | 132.9° |
| O31 | S23 | C20 | C21 | 22.1° | 156.5° |
| O31 | S23 | C20 | O32 | 140.2° | 132.9° |
| O31 | S23 | C20 | C19 | 160.6° | 23.5° |
| N24 | C25 | C26 | H34 | 120.7° | 119.6° |
| N24 | C25 | C26 | H35 | 120.8° | 119.8° |
| C25 | N24 | S23 | C20 | 74.9° | 90.0° |
| C25 | N24 | S23 | O32 | 38.2° | 156.5° |
| C25 | N24 | C29 | H24 | 166.4° | 170.9° |
| C25 | N24 | C29 | H25 | 73.6° | 68.7° |
| N24 | C25 | C26 | H32 | 161.1° | 66.1° |
| N24 | C25 | C26 | H33 | 79.8° | 173.8° |
| N24 | C25 | H34 | H35 | 117.7° | 120.5° |
| S23 | N24 | C25 | C26 | 169.4° | 129.1° |
| N24 | S23 | C20 | C21 | 88.5° | 90.0° |
| N24 | S23 | C20 | O32 | 109.2° | 113.5° |
| N24 | S23 | C20 | C19 | 88.8° | 90.0° |
| S23 | N24 | C29 | H24 | 41.6° | 9.4° |
| S23 | N24 | C29 | H25 | 78.4° | 111.0° |
| S23 | N24 | C25 | H34 | 48.7° | 111.5° |
| S23 | N24 | C25 | H35 | 69.8° | 9.1° |
| C25 | C26 | H32 | H33 | 118.6° | 120.1° |
| C26 | C25 | H34 | H35 | 117.7° | 120.7° |
| C22 | C21 | C20 | H21 | 180.0° | 179.9° |
| C21 | C22 | C17 | H20 | 180.0° | 179.9° |
| C22 | C21 | C20 | S23 | 178.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.7° | 0.0° |
| C21 | C22 | C17 | C14 | 177.6° | 180.0° |
| C21 | C22 | C17 | C18 | 1.8° | 0.3° |
| C20 | C21 | C22 | C17 | 0.7° | 0.0° |
| C21 | C20 | S23 | C19 | 177.3° | 180.0° |
| C21 | C20 | S23 | O32 | 162.3° | 23.6° |
| C21 | C20 | C19 | C18 | 1.1° | 0.3° |
| C20 | C21 | C22 | H20 | 179.3° | 179.9° |
| C21 | C20 | C19 | H22 | 178.9° | 180.0° |
| C22 | C17 | C14 | C15 | 29.2° | 0.3° |
| C22 | C17 | C14 | C18 | 175.8° | 179.7° |
| C22 | C17 | C14 | C13 | 157.7° | 179.7° |
| C22 | C17 | C18 | C19 | 1.3° | 0.6° |
| C17 | C22 | C21 | H21 | 179.3° | 180.0° |
| C22 | C17 | C18 | H23 | 178.7° | 179.8° |
| S23 | C20 | C19 | C18 | 178.4° | 179.7° |
| S23 | C20 | C21 | H21 | 2.0° | 0.1° |
| S23 | C20 | C19 | H22 | 1.6° | 0.0° |
| O32 | S23 | C20 | C19 | 20.4° | 156.4° |
| C16 | C15 | C14 | H17 | 180.0° | 180.0° |
| C15 | C16 | C11 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | C17 | 178.0° | 180.0° |
| C16 | C15 | C14 | C13 | 4.7° | 0.0° |
| C15 | C16 | C11 | C2 | 178.8° | 180.0° |
| C15 | C16 | C11 | C12 | 0.5° | 0.3° |
| C14 | C15 | C16 | C11 | 2.8° | 0.0° |
| C15 | C14 | C17 | C13 | 173.1° | 180.0° |
| C15 | C14 | C17 | C18 | 146.6° | 180.0° |
| C15 | C14 | C13 | C12 | 4.4° | 0.3° |
| C14 | C15 | C16 | H16 | 177.2° | 180.0° |
| C15 | C14 | C13 | H18 | 175.6° | 180.0° |
| C16 | C11 | C2 | C12 | 179.3° | 179.7° |
| C16 | C11 | C2 | C3 | 138.0° | 8.4° |
| C16 | C11 | C2 | C1 | 149.8° | 60.3° |
| C16 | C11 | C12 | C13 | 0.2° | 0.6° |
| C16 | C11 | C2 | H4 | 0.8° | 154.0° |
| C11 | C16 | C15 | H17 | 177.1° | 180.0° |
| C16 | C11 | C12 | H19 | 179.8° | 179.7° |
| C20 | C19 | C18 | C17 | 0.1° | 0.6° |
| C20 | C19 | C18 | H22 | 180.0° | 179.7° |
| C19 | C20 | C21 | H21 | 179.3° | 179.9° |
| C20 | C19 | C18 | H23 | 179.9° | 179.7° |
| C14 | C17 | C18 | C19 | 177.3° | 179.7° |
| C17 | C14 | C13 | C12 | 177.7° | 179.7° |
| C17 | C14 | C15 | H17 | 2.0° | 0.0° |
| C17 | C14 | C13 | H18 | 2.3° | 0.1° |
| C14 | C17 | C22 | H20 | 2.4° | 0.1° |
| C14 | C17 | C18 | H23 | 2.7° | 0.0° |
| C18 | C17 | C14 | C13 | 26.5° | 0.0° |
| C17 | C18 | C19 | H23 | 180.0° | 179.7° |
| C18 | C17 | C22 | H20 | 178.2° | 179.8° |
| C17 | C18 | C19 | H22 | 179.9° | 179.7° |
| C14 | C13 | C12 | C11 | 2.2° | 0.6° |
| C14 | C13 | C12 | H18 | 180.0° | 179.6° |
| C13 | C14 | C15 | H17 | 175.3° | 180.0° |
| C14 | C13 | C12 | H19 | 177.8° | 179.7° |
| C11 | C2 | C3 | C1 | 117.1° | 107.5° |
| C11 | C2 | C3 | H4 | 138.7° | 145.0° |
| C11 | C2 | C1 | H4 | 149.2° | 145.1° |
| C2 | C11 | C12 | C13 | 179.1° | 179.7° |
| C11 | C2 | C1 | C37 | 144.5° | 145.0° |
| C11 | C2 | C1 | N4 | 0.9° | 0.1° |
| C11 | C2 | C3 | H2 | 133.0° | 145.0° |
| C11 | C2 | C3 | H3 | 7.2° | 0.1° |
| C2 | C11 | C16 | H16 | 1.2° | 0.0° |
| C2 | C11 | C12 | H19 | 0.9° | 0.0° |
| C12 | C11 | C2 | C3 | 41.3° | 171.4° |
| C12 | C11 | C2 | C1 | 30.9° | 120.0° |
| C11 | C12 | C13 | H19 | 180.0° | 179.7° |
| C12 | C11 | C2 | H4 | 179.9° | 25.7° |
| C12 | C11 | C16 | H16 | 179.5° | 179.7° |
| C11 | C12 | C13 | H18 | 177.8° | 179.7° |
| C3 | C2 | C1 | H4 | 105.7° | 107.4° |
| C2 | C3 | C1 | C37 | 108.0° | 107.5° |
| C2 | C3 | C1 | H2 | 109.9° | 107.6° |
| C2 | C3 | C1 | H3 | 109.9° | 107.5° |
| C3 | C2 | C1 | N4 | 106.0° | 107.5° |
| C2 | C3 | H2 | H3 | 143.8° | 145.7° |
| C2 | C1 | C37 | N38 | 26.7° | 120.0° |
| C2 | C1 | C37 | N4 | 147.0° | 145.7° |
| C2 | C1 | N4 | C5 | 69.6° | 180.0° |
| C2 | C1 | C37 | H6 | 153.3° | 59.9° |
| C2 | C1 | N4 | H7 | 110.4° | 0.1° |
| N38 | C37 | C1 | H6 | 180.0° | 179.9° |
| N38 | C37 | C1 | C3 | 41.9° | 51.4° |
| N38 | C37 | C1 | N4 | 173.7° | 94.3° |
| C37 | C1 | C3 | N4 | 141.8° | 145.0° |
| C37 | C1 | N4 | C5 | 77.2° | 34.3° |
| C37 | C1 | C3 | H2 | 1.9° | 0.1° |
| C37 | C1 | C3 | H3 | 142.1° | 145.0° |
| C37 | C1 | C2 | H4 | 4.7° | 0.0° |
| C1 | C37 | N38 | H5 | 0.0° | 0.1° |
| C37 | C1 | N4 | H7 | 102.8° | 145.7° |
| C3 | C1 | N4 | C5 | 137.0° | 111.4° |
| C1 | C3 | H2 | H3 | 143.8° | 145.6° |
| C3 | C1 | C37 | H6 | 138.1° | 128.6° |
| C3 | C1 | N4 | H7 | 43.0° | 68.6° |
| O7 | C5 | N4 | C1 | 2.8° | 0.2° |
| O7 | C5 | N4 | C6 | 177.8° | 179.8° |
| O7 | C5 | C6 | N8 | 23.0° | 20.2° |
| O7 | C5 | C6 | C9 | 97.3° | 99.8° |
| O7 | C5 | C6 | H1 | 145.5° | 140.3° |
| O7 | C5 | N4 | H7 | 177.2° | 179.7° |
| C1 | N4 | C5 | H7 | 180.0° | 180.0° |
| C1 | N4 | C5 | C6 | 179.4° | 180.0° |
| N4 | C1 | C3 | H2 | 139.9° | 145.0° |
| N4 | C1 | C3 | H3 | 0.3° | 0.1° |
| N4 | C1 | C2 | H4 | 148.3° | 145.0° |
| N4 | C1 | C37 | H6 | 6.3° | 85.7° |
| N4 | C5 | C6 | N8 | 159.0° | 160.0° |
| N4 | C5 | C6 | C9 | 80.7° | 80.0° |
| N4 | C5 | C6 | H1 | 36.5° | 39.9° |
| C5 | C6 | N8 | C9 | 118.6° | 120.0° |
| C5 | C6 | N8 | H1 | 122.2° | 120.0° |
| C5 | C6 | C9 | H1 | 117.3° | 120.0° |
| C5 | C6 | C9 | C10 | 170.7° | 175.0° |
| C6 | C5 | N4 | H7 | 0.6° | 0.0° |
| C5 | C6 | C9 | H8 | 50.0° | 64.9° |
| C5 | C6 | C9 | H9 | 68.6° | 55.0° |
| C5 | C6 | N8 | H13 | 180.0° | 64.0° |
| C5 | C6 | N8 | H14 | 60.0° | 60.0° |
| N8 | C6 | C9 | H1 | 119.7° | 120.0° |
| N8 | C6 | C9 | C10 | 47.7° | 65.0° |
| N8 | C6 | C9 | H8 | 73.0° | 55.0° |
| N8 | C6 | C9 | H9 | 168.4° | 175.0° |
| C6 | N8 | H13 | H14 | 120.0° | 124.0° |
| C6 | C9 | C10 | H8 | 120.7° | 120.0° |
| C6 | C9 | C10 | H9 | 120.7° | 120.0° |
| C6 | C9 | C10 | C33 | 125.0° | 90.0° |
| C6 | C9 | C10 | S36 | 58.5° | 89.7° |
| C6 | C9 | H8 | H9 | 117.9° | 119.9° |
| C9 | C6 | N8 | H13 | 61.4° | 176.0° |
| C9 | C6 | N8 | H14 | 178.5° | 60.0° |
| C9 | C10 | C33 | S36 | 176.7° | 179.8° |
| C9 | C10 | C33 | C34 | 177.4° | 179.9° |
| C9 | C10 | S36 | C35 | 178.2° | 180.0° |
| C10 | C9 | C6 | H1 | 72.0° | 55.1° |
| C10 | C9 | H8 | H9 | 117.9° | 120.1° |
| C9 | C10 | C33 | H12 | 2.6° | 0.0° |
| C10 | C33 | C34 | H12 | 180.0° | 179.9° |
| C33 | C10 | S36 | C35 | 1.1° | 0.2° |
| C10 | C33 | C34 | C35 | 0.3° | 0.4° |
| C33 | C10 | C9 | H8 | 4.3° | 30.0° |
| C33 | C10 | C9 | H9 | 114.3° | 150.0° |
| C10 | C33 | C34 | H11 | 179.7° | 179.8° |
| S36 | C10 | C33 | C34 | 0.7° | 0.4° |
| C10 | S36 | C35 | C34 | 1.3° | 0.0° |
| S36 | C10 | C9 | H8 | 179.2° | 150.3° |
| S36 | C10 | C9 | H9 | 62.2° | 30.3° |
| C10 | S36 | C35 | H10 | 178.7° | 180.0° |
| S36 | C10 | C33 | H12 | 179.3° | 179.7° |
| C33 | C34 | C35 | S36 | 1.1° | 0.2° |
| C33 | C34 | C35 | H11 | 180.0° | 179.9° |
| C33 | C34 | C35 | H10 | 178.9° | 179.8° |
| S36 | C35 | C34 | H10 | 180.0° | 180.0° |
| S36 | C35 | C34 | H11 | 178.9° | 180.0° |
| C35 | C34 | C33 | H12 | 179.7° | 179.7° |
| H1 | C6 | C9 | H8 | 167.3° | 175.1° |
| H1 | C6 | C9 | H9 | 48.6° | 65.0° |
| H1 | C6 | N8 | H13 | 57.9° | 56.0° |
| H1 | C6 | N8 | H14 | 62.2° | 180.0° |
| H2 | C3 | C2 | H4 | 5.7° | 0.0° |
| H3 | C3 | C2 | H4 | 145.9° | 145.0° |
| H5 | N38 | C37 | H6 | 180.0° | 180.0° |
| H10 | C35 | C34 | H11 | 1.1° | 0.0° |
| H11 | C34 | C33 | H12 | 0.3° | 0.2° |
| H16 | C16 | C15 | H17 | 2.9° | 0.0° |
| H18 | C13 | C12 | H19 | 2.2° | 0.1° |
| H20 | C22 | C21 | H21 | 0.7° | 0.0° |
| H22 | C19 | C18 | H23 | 0.1° | 0.1° |
| H24 | C29 | C28 | H26 | 61.4° | 53.6° |
| H24 | C29 | C28 | H27 | 58.4° | 66.5° |
| H25 | C29 | C28 | H26 | 58.5° | 174.1° |
| H25 | C29 | C28 | H27 | 178.4° | 54.0° |
| H29 | C30 | H30 | H31 | 120.0° | 120.0° |
| H32 | C26 | C25 | H34 | 78.1° | 174.3° |
| H32 | C26 | C25 | H35 | 40.4° | 53.7° |
| H33 | C26 | C25 | H34 | 40.9° | 54.2° |
| H33 | C26 | C25 | H35 | 159.4° | 66.4° |
