3ZH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| C40 | C39 | sing | 1.53Å | 1.51Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C36 | sing | 1.53Å | 1.51Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C41 | C42 | sing | 1.53Å | 1.50Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C43 | N3 | sing | 1.46Å | 1.47Å | |
| C34 | C33 | sing | 1.51Å | 1.51Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| N3 | C11 | sing | 1.40Å | 1.41Å | |
| N3 | C12 | sing | 1.47Å | 1.46Å | |
| C11 | C10 | doub | 1.32Å | 1.36Å | |
| C33 | O5 | doub | 1.21Å | 1.23Å | |
| CA | N | sing | 1.47Å | 1.45Å | |
| CA | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.51Å | 1.47Å | |
| C10 | N4 | sing | 1.40Å | 1.42Å | |
| C12 | N4 | sing | 1.47Å | 1.46Å | |
| N4 | C13 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| C16 | C17 | sing | 1.53Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.51Å | 1.51Å | |
| C21 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C43 | H71 | sing | 1.09Å | 1.10Å | |
| C43 | H70 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H34 | sing | 1.09Å | 1.10Å | |
| C20 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H40 | sing | 1.08Å | 1.08Å | |
| C25 | H39 | sing | 1.08Å | 1.08Å | |
| C24 | H38 | sing | 1.08Å | 1.08Å | |
| C23 | H37 | sing | 1.08Å | 1.08Å | |
| C22 | H36 | sing | 1.08Å | 1.08Å | |
| C34 | H52 | sing | 1.09Å | 1.10Å | |
| C34 | H53 | sing | 1.09Å | 1.10Å | |
| C35 | H55 | sing | 1.09Å | 1.10Å | |
| C35 | H54 | sing | 1.09Å | 1.10Å | |
| C36 | H57 | sing | 1.09Å | 1.10Å | |
| C36 | H56 | sing | 1.09Å | 1.10Å | |
| C37 | H59 | sing | 1.09Å | 1.10Å | |
| C37 | H58 | sing | 1.09Å | 1.10Å | |
| C38 | H61 | sing | 1.09Å | 1.10Å | |
| C38 | H60 | sing | 1.09Å | 1.10Å | |
| C39 | H62 | sing | 1.09Å | 1.10Å | |
| C39 | H63 | sing | 1.09Å | 1.10Å | |
| C40 | H64 | sing | 1.09Å | 1.10Å | |
| C40 | H65 | sing | 1.09Å | 1.10Å | |
| C41 | H66 | sing | 1.09Å | 1.10Å | |
| C41 | H67 | sing | 1.09Å | 1.10Å | |
| C42 | H68 | sing | 1.09Å | 1.10Å | |
| C42 | H69 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C33 | O1 | sing | 1.34Å | 1.34Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C40 | C39 | 113.6° | 109.5° |
| C40 | C41 | C42 | 113.6° | 109.5° |
| C41 | C40 | H64 | 108.4° | 109.4° |
| C41 | C40 | H65 | 108.4° | 109.5° |
| C40 | C41 | H66 | 108.4° | 109.4° |
| C40 | C41 | H67 | 108.4° | 109.5° |
| C40 | C39 | C38 | 114.1° | 109.4° |
| C40 | C39 | H62 | 108.3° | 109.4° |
| C40 | C39 | H63 | 108.3° | 109.5° |
| C39 | C40 | H64 | 108.4° | 109.5° |
| C39 | C40 | H65 | 108.4° | 109.5° |
| C38 | C37 | C36 | 112.3° | 109.5° |
| C37 | C38 | C39 | 115.3° | 109.5° |
| C38 | C37 | H59 | 108.7° | 109.5° |
| C38 | C37 | H58 | 108.8° | 109.5° |
| C37 | C38 | H61 | 108.0° | 109.4° |
| C37 | C38 | H60 | 108.0° | 109.4° |
| C37 | C36 | C35 | 112.8° | 109.5° |
| C37 | C36 | H57 | 108.6° | 109.5° |
| C37 | C36 | H56 | 108.6° | 109.4° |
| C36 | C37 | H59 | 108.8° | 109.5° |
| C36 | C37 | H58 | 108.7° | 109.4° |
| C39 | C38 | H61 | 108.0° | 109.5° |
| C39 | C38 | H60 | 108.0° | 109.5° |
| C38 | C39 | H62 | 108.3° | 109.5° |
| C38 | C39 | H63 | 108.3° | 109.5° |
| C41 | C42 | C43 | 114.4° | 109.5° |
| C42 | C41 | H66 | 108.4° | 109.5° |
| C42 | C41 | H67 | 108.4° | 109.4° |
| C41 | C42 | H68 | 108.2° | 109.5° |
| C41 | C42 | H69 | 108.2° | 109.5° |
| C36 | C35 | C34 | 111.0° | 109.5° |
| C36 | C35 | H55 | 109.1° | 109.5° |
| C36 | C35 | H54 | 109.1° | 109.4° |
| C35 | C36 | H57 | 108.6° | 109.5° |
| C35 | C36 | H56 | 108.6° | 109.5° |
| C42 | C43 | N3 | 113.1° | 109.5° |
| C42 | C43 | H71 | 108.6° | 109.5° |
| C42 | C43 | H70 | 108.6° | 109.5° |
| C43 | C42 | H68 | 108.2° | 109.5° |
| C43 | C42 | H69 | 108.2° | 109.5° |
| C35 | C34 | C33 | 114.8° | 109.5° |
| C35 | C34 | H52 | 108.1° | 109.4° |
| C35 | C34 | H53 | 108.1° | 109.5° |
| C34 | C35 | H55 | 109.1° | 109.4° |
| C34 | C35 | H54 | 109.1° | 109.5° |
| O | C | CA | 120.1° | 120.0° |
| O | C | OXT | 123.4° | 120.0° |
| C43 | N3 | C11 | 131.0° | 126.6° |
| C43 | N3 | C12 | 118.8° | 126.7° |
| N3 | C43 | H71 | 108.6° | 109.4° |
| N3 | C43 | H70 | 108.5° | 109.5° |
| C34 | C33 | O5 | 120.8° | 120.0° |
| C33 | C34 | H52 | 108.1° | 109.5° |
| C33 | C34 | H53 | 108.1° | 109.5° |
| C34 | C33 | O1 | 116.3° | 120.0° |
| C | CA | N | 107.9° | 109.5° |
| C | CA | C9 | 112.2° | 109.4° |
| C | CA | HA | 108.1° | 109.5° |
| CA | C | OXT | 116.5° | 120.0° |
| C11 | N3 | C12 | 110.2° | 106.6° |
| N3 | C11 | C10 | 108.7° | 111.1° |
| N3 | C11 | H17 | 125.6° | 124.5° |
| N3 | C12 | N4 | 101.7° | 104.5° |
| N3 | C12 | H18 | 111.4° | 110.4° |
| N3 | C12 | H19 | 111.4° | 110.4° |
| C11 | C10 | C9 | 129.9° | 124.4° |
| C11 | C10 | N4 | 108.4° | 111.2° |
| C10 | C11 | H17 | 125.7° | 124.4° |
| O5 | C33 | O1 | 122.8° | 120.0° |
| N | CA | C9 | 111.6° | 109.5° |
| N | CA | HA | 109.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| CA | C9 | C10 | 110.8° | 109.4° |
| C9 | CA | HA | 108.0° | 109.5° |
| CA | C9 | H15 | 109.1° | 109.4° |
| CA | C9 | H16 | 109.2° | 109.5° |
| C9 | C10 | N4 | 121.6° | 124.4° |
| C10 | C9 | H15 | 109.1° | 109.5° |
| C10 | C9 | H16 | 109.1° | 109.5° |
| C10 | N4 | C12 | 110.2° | 106.6° |
| C10 | N4 | C13 | 130.8° | 126.7° |
| C12 | N4 | C13 | 118.9° | 126.7° |
| N4 | C12 | H18 | 111.4° | 110.5° |
| N4 | C12 | H19 | 111.4° | 110.5° |
| N4 | C13 | C14 | 111.6° | 109.4° |
| N4 | C13 | H20 | 108.9° | 109.5° |
| N4 | C13 | H21 | 108.9° | 109.5° |
| C13 | C14 | C15 | 113.0° | 109.4° |
| C14 | C13 | H20 | 108.9° | 109.5° |
| C14 | C13 | H21 | 108.9° | 109.5° |
| C13 | C14 | H22 | 108.6° | 109.5° |
| C13 | C14 | H23 | 108.6° | 109.5° |
| C14 | C15 | C16 | 111.3° | 109.5° |
| C15 | C14 | H22 | 108.6° | 109.4° |
| C15 | C14 | H23 | 108.6° | 109.5° |
| C14 | C15 | H25 | 109.0° | 109.5° |
| C14 | C15 | H24 | 109.0° | 109.5° |
| C15 | C16 | C17 | 113.6° | 109.5° |
| C16 | C15 | H25 | 109.0° | 109.4° |
| C16 | C15 | H24 | 109.0° | 109.5° |
| C15 | C16 | H26 | 108.4° | 109.5° |
| C15 | C16 | H27 | 108.4° | 109.5° |
| C16 | C17 | C18 | 111.8° | 109.5° |
| C17 | C16 | H26 | 108.4° | 109.5° |
| C17 | C16 | H27 | 108.4° | 109.4° |
| C16 | C17 | H28 | 108.9° | 109.5° |
| C16 | C17 | H29 | 108.9° | 109.4° |
| C17 | C18 | C19 | 113.4° | 109.5° |
| C18 | C17 | H28 | 108.9° | 109.4° |
| C18 | C17 | H29 | 108.9° | 109.5° |
| C17 | C18 | H30 | 108.5° | 109.5° |
| C17 | C18 | H31 | 108.5° | 109.5° |
| C18 | C19 | C20 | 111.4° | 109.5° |
| C19 | C18 | H30 | 108.5° | 109.4° |
| C19 | C18 | H31 | 108.5° | 109.5° |
| C18 | C19 | H33 | 109.0° | 109.5° |
| C18 | C19 | H32 | 109.0° | 109.5° |
| C19 | C20 | C21 | 111.8° | 109.5° |
| C20 | C19 | H33 | 109.0° | 109.5° |
| C20 | C19 | H32 | 109.0° | 109.5° |
| C19 | C20 | H34 | 108.9° | 109.5° |
| C19 | C20 | H35 | 108.9° | 109.5° |
| C20 | C21 | C26 | 120.8° | 120.0° |
| C20 | C21 | C22 | 120.9° | 120.0° |
| C21 | C20 | H34 | 108.9° | 109.4° |
| C21 | C20 | H35 | 108.9° | 109.5° |
| C26 | C21 | C22 | 118.3° | 120.0° |
| C21 | C26 | C25 | 120.8° | 120.0° |
| C21 | C26 | H40 | 119.6° | 120.1° |
| C21 | C22 | C23 | 120.8° | 120.0° |
| C21 | C22 | H36 | 119.6° | 120.0° |
| C26 | C25 | C24 | 120.2° | 120.1° |
| C25 | C26 | H40 | 119.6° | 120.0° |
| C26 | C25 | H39 | 119.9° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C22 | C23 | H37 | 119.9° | 120.0° |
| C23 | C22 | H36 | 119.6° | 120.0° |
| C25 | C24 | C23 | 119.6° | 120.0° |
| C24 | C25 | H39 | 119.9° | 120.0° |
| C25 | C24 | H38 | 120.2° | 120.0° |
| C23 | C24 | H38 | 120.2° | 120.0° |
| C24 | C23 | H37 | 119.9° | 120.0° |
| H15 | C9 | H16 | 109.4° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| H71 | C43 | H70 | 109.4° | 109.4° |
| H18 | C12 | H19 | 109.5° | 110.5° |
| H20 | C13 | H21 | 109.5° | 109.4° |
| H22 | C14 | H23 | 109.5° | 109.5° |
| H25 | C15 | H24 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.5° | 109.4° |
| H28 | C17 | H29 | 109.5° | 109.5° |
| H30 | C18 | H31 | 109.5° | 109.5° |
| H33 | C19 | H32 | 109.4° | 109.4° |
| H34 | C20 | H35 | 109.5° | 109.5° |
| H52 | C34 | H53 | 109.5° | 109.5° |
| H55 | C35 | H54 | 109.5° | 109.5° |
| H57 | C36 | H56 | 109.5° | 109.4° |
| H59 | C37 | H58 | 109.5° | 109.4° |
| H61 | C38 | H60 | 109.4° | 109.5° |
| H62 | C39 | H63 | 109.5° | 109.5° |
| H64 | C40 | H65 | 109.5° | 109.5° |
| H66 | C41 | H67 | 109.5° | 109.5° |
| H68 | C42 | H69 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| C33 | O1 | H1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C40 | C39 | H64 | 120.6° | 120.0° |
| C41 | C40 | C39 | H65 | 120.6° | 120.0° |
| C41 | C40 | C39 | C38 | 154.3° | 180.0° |
| C40 | C41 | C42 | H66 | 120.6° | 120.0° |
| C40 | C41 | C42 | H67 | 120.6° | 120.0° |
| C40 | C41 | C42 | C43 | 125.1° | 180.0° |
| C41 | C40 | C39 | H62 | 33.6° | 60.1° |
| C41 | C40 | C39 | H63 | 85.0° | 60.0° |
| C41 | C40 | H64 | H65 | 118.1° | 120.0° |
| C40 | C41 | H66 | H67 | 118.1° | 120.0° |
| C40 | C41 | C42 | H68 | 114.2° | 59.9° |
| C40 | C41 | C42 | H69 | 4.3° | 60.0° |
| C40 | C39 | C38 | C37 | 101.1° | 180.0° |
| C40 | C39 | C38 | H62 | 120.7° | 120.0° |
| C40 | C39 | C38 | H63 | 120.7° | 120.0° |
| C39 | C40 | C41 | C42 | 69.2° | 180.0° |
| C40 | C39 | C38 | H61 | 138.1° | 60.1° |
| C40 | C39 | C38 | H60 | 19.8° | 60.0° |
| C40 | C39 | H62 | H63 | 117.9° | 120.0° |
| C39 | C40 | H64 | H65 | 118.1° | 120.1° |
| C39 | C40 | C41 | H66 | 51.4° | 60.0° |
| C39 | C40 | C41 | H67 | 170.2° | 60.0° |
| C38 | C37 | C36 | H59 | 120.4° | 120.1° |
| C38 | C37 | C36 | H58 | 120.4° | 120.0° |
| C37 | C38 | C39 | H61 | 120.9° | 120.0° |
| C37 | C38 | C39 | H60 | 120.9° | 120.0° |
| C38 | C37 | C36 | C35 | 76.9° | NaN° |
| C38 | C37 | C36 | H57 | 162.6° | 59.9° |
| C38 | C37 | C36 | H56 | 43.6° | 60.0° |
| C38 | C37 | H59 | H58 | 118.7° | 120.0° |
| C37 | C38 | H61 | H60 | 117.3° | 120.0° |
| C37 | C38 | C39 | H62 | 138.2° | 60.0° |
| C37 | C38 | C39 | H63 | 19.6° | 60.0° |
| C36 | C37 | C38 | C39 | 130.4° | 180.0° |
| C37 | C36 | C35 | H57 | 120.5° | 120.1° |
| C37 | C36 | C35 | H56 | 120.5° | 120.0° |
| C37 | C36 | C35 | C34 | 92.2° | 179.9° |
| C37 | C36 | C35 | H55 | 147.6° | 60.0° |
| C37 | C36 | C35 | H54 | 28.1° | 60.0° |
| C37 | C36 | H57 | H56 | 118.5° | 119.9° |
| C36 | C37 | H59 | H58 | 118.7° | 119.9° |
| C36 | C37 | C38 | H61 | 9.6° | 60.0° |
| C36 | C37 | C38 | H60 | 108.7° | 60.0° |
| C39 | C38 | C37 | H59 | 10.0° | 59.9° |
| C39 | C38 | C37 | H58 | 109.2° | 60.0° |
| C39 | C38 | H61 | H60 | 117.3° | 120.1° |
| C38 | C39 | H62 | H63 | 117.9° | 120.0° |
| C38 | C39 | C40 | H64 | 85.1° | 60.0° |
| C38 | C39 | C40 | H65 | 33.7° | 60.0° |
| C41 | C42 | C43 | H68 | 120.7° | 120.1° |
| C41 | C42 | C43 | H69 | 120.7° | 120.0° |
| C41 | C42 | C43 | N3 | 130.7° | 180.0° |
| C41 | C42 | C43 | H71 | 10.1° | 60.0° |
| C41 | C42 | C43 | H70 | 108.8° | 60.0° |
| C42 | C41 | C40 | H64 | 51.4° | 60.0° |
| C42 | C41 | C40 | H65 | 170.2° | 59.9° |
| C42 | C41 | H66 | H67 | 118.1° | 120.0° |
| C41 | C42 | H68 | H69 | 117.7° | 119.9° |
| C36 | C35 | C34 | H55 | 120.2° | 120.0° |
| C36 | C35 | C34 | H54 | 120.2° | 120.0° |
| C36 | C35 | C34 | C33 | 174.9° | 180.0° |
| C36 | C35 | C34 | H52 | 54.1° | 60.0° |
| C36 | C35 | C34 | H53 | 64.3° | 60.0° |
| C36 | C35 | H55 | H54 | 119.3° | 120.0° |
| C35 | C36 | H57 | H56 | 118.4° | 120.0° |
| C35 | C36 | C37 | H59 | 43.5° | 59.9° |
| C35 | C36 | C37 | H58 | 162.7° | 60.0° |
| C42 | C43 | N3 | H71 | 120.6° | 120.0° |
| C42 | C43 | N3 | H70 | 120.5° | 120.1° |
| C42 | C43 | N3 | C11 | 27.0° | 89.9° |
| C42 | C43 | N3 | C12 | 153.8° | 90.0° |
| C42 | C43 | H71 | H70 | 118.4° | 120.0° |
| C43 | C42 | C41 | H66 | 4.4° | 60.0° |
| C43 | C42 | C41 | H67 | 114.3° | 60.0° |
| C43 | C42 | H68 | H69 | 117.8° | 120.0° |
| C35 | C34 | C33 | H52 | 120.8° | 120.0° |
| C35 | C34 | C33 | H53 | 120.8° | 120.0° |
| C35 | C34 | C33 | O5 | 148.6° | 0.0° |
| C35 | C34 | H52 | H53 | 117.6° | 120.0° |
| C34 | C35 | H55 | H54 | 119.3° | 120.0° |
| C34 | C35 | C36 | H57 | 28.3° | 60.0° |
| C34 | C35 | C36 | H56 | 147.3° | 60.0° |
| C35 | C34 | C33 | O1 | 33.4° | 180.0° |
| O | C | CA | OXT | 178.8° | 180.0° |
| O | C | CA | N | 10.4° | 20.0° |
| O | C | CA | C9 | 112.9° | 100.0° |
| O | C | CA | HA | 128.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C43 | N3 | C11 | C12 | 179.3° | 179.9° |
| C43 | N3 | C11 | C10 | 179.4° | 179.9° |
| C43 | N3 | C12 | N4 | 174.3° | 179.9° |
| C43 | N3 | C11 | H17 | 0.6° | 0.2° |
| N3 | C43 | H71 | H70 | 118.3° | 120.0° |
| C43 | N3 | C12 | H18 | 55.6° | 61.3° |
| C43 | N3 | C12 | H19 | 67.0° | 61.2° |
| N3 | C43 | C42 | H68 | 108.6° | 60.0° |
| N3 | C43 | C42 | H69 | 9.9° | 59.9° |
| C34 | C33 | O5 | O1 | 177.9° | 180.0° |
| C33 | C34 | H52 | H53 | 117.5° | 120.0° |
| C33 | C34 | C35 | H55 | 64.9° | 60.0° |
| C33 | C34 | C35 | H54 | 54.7° | 60.0° |
| C34 | C33 | O1 | H1 | 178.0° | 180.0° |
| C | CA | N | C9 | 123.6° | 120.0° |
| C | CA | N | HA | 117.2° | 120.0° |
| C | CA | C9 | HA | 119.0° | 120.0° |
| C | CA | C9 | C10 | 63.3° | 175.0° |
| C | CA | C9 | H15 | 56.9° | 65.1° |
| C | CA | C9 | H16 | 176.5° | 55.0° |
| C | CA | N | H | 180.0° | 63.9° |
| CA | C | OXT | HXT | 178.8° | 180.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| N3 | C11 | C10 | H17 | 180.0° | 179.8° |
| N3 | C11 | C10 | C9 | 179.6° | 179.8° |
| N3 | C11 | C10 | N4 | 4.6° | 0.0° |
| C11 | N3 | C12 | N4 | 6.3° | 0.0° |
| C11 | N3 | C43 | H71 | 147.5° | 150.1° |
| C11 | N3 | C43 | H70 | 93.6° | 30.1° |
| C11 | N3 | C12 | H18 | 125.0° | 118.8° |
| C11 | N3 | C12 | H19 | 112.5° | 118.8° |
| C12 | N3 | C11 | C10 | 1.3° | 0.0° |
| N3 | C12 | N4 | C10 | 9.1° | 0.0° |
| N3 | C12 | N4 | H18 | 118.7° | 118.8° |
| N3 | C12 | N4 | H19 | 118.7° | 118.8° |
| N3 | C12 | N4 | C13 | 173.8° | 180.0° |
| C12 | N3 | C11 | H17 | 178.7° | 179.7° |
| C12 | N3 | C43 | H71 | 33.2° | 30.0° |
| C12 | N3 | C43 | H70 | 85.7° | 150.0° |
| N3 | C12 | H18 | H19 | 123.6° | 122.4° |
| C11 | C10 | C9 | CA | 64.4° | 95.0° |
| C11 | C10 | C9 | N4 | 175.3° | 179.7° |
| C11 | C10 | N4 | C12 | 8.9° | 0.0° |
| C11 | C10 | N4 | C13 | 174.4° | 180.0° |
| C11 | C10 | C9 | H15 | 55.8° | 24.9° |
| C11 | C10 | C9 | H16 | 175.4° | 145.0° |
| O5 | C33 | C34 | H52 | 90.6° | 120.0° |
| O5 | C33 | C34 | H53 | 27.8° | 120.0° |
| O5 | C33 | O1 | H1 | 0.0° | 0.0° |
| N | CA | C9 | HA | 119.8° | 120.0° |
| N | CA | C9 | C10 | 57.9° | 65.0° |
| N | CA | C9 | H15 | 178.1° | 55.0° |
| N | CA | C9 | H16 | 62.3° | 175.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 170.8° | 160.0° |
| CA | C9 | C10 | H15 | 120.2° | 119.9° |
| CA | C9 | C10 | H16 | 120.2° | 120.0° |
| CA | C9 | C10 | N4 | 110.9° | 85.3° |
| CA | C9 | H15 | H16 | 119.4° | 120.0° |
| C9 | CA | N | H | 56.4° | 176.1° |
| C9 | CA | C | OXT | 65.9° | 80.0° |
| C9 | CA | N | H2 | 176.4° | 60.0° |
| C9 | C10 | N4 | C12 | 174.9° | 179.8° |
| C9 | C10 | N4 | C13 | 1.8° | 0.3° |
| C10 | C9 | CA | HA | 177.6° | 55.0° |
| C10 | C9 | H15 | H16 | 119.4° | 120.0° |
| C9 | C10 | C11 | H17 | 0.4° | 0.0° |
| C10 | N4 | C12 | C13 | 177.1° | 180.0° |
| C10 | N4 | C13 | C14 | 102.3° | 90.0° |
| N4 | C10 | C9 | H15 | 128.9° | 154.8° |
| N4 | C10 | C9 | H16 | 9.3° | 34.7° |
| N4 | C10 | C11 | H17 | 175.4° | 179.7° |
| C10 | N4 | C12 | H18 | 127.8° | 118.8° |
| C10 | N4 | C12 | H19 | 109.7° | 118.8° |
| C10 | N4 | C13 | H20 | 18.0° | 30.0° |
| C10 | N4 | C13 | H21 | 137.3° | 150.0° |
| C12 | N4 | C13 | C14 | 74.1° | 90.0° |
| N4 | C12 | H18 | H19 | 123.6° | 122.5° |
| C12 | N4 | C13 | H20 | 165.6° | 149.9° |
| C12 | N4 | C13 | H21 | 46.2° | 30.0° |
| N4 | C13 | C14 | H20 | 120.3° | 120.0° |
| N4 | C13 | C14 | H21 | 120.3° | 120.0° |
| N4 | C13 | C14 | C15 | 160.1° | 180.0° |
| C13 | N4 | C12 | H18 | 55.0° | 61.2° |
| C13 | N4 | C12 | H19 | 67.5° | 61.3° |
| N4 | C13 | H20 | H21 | 119.0° | 120.0° |
| N4 | C13 | C14 | H22 | 79.4° | 60.0° |
| N4 | C13 | C14 | H23 | 39.5° | 60.0° |
| C13 | C14 | C15 | H22 | 120.6° | 120.0° |
| C13 | C14 | C15 | H23 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 156.8° | 180.0° |
| C14 | C13 | H20 | H21 | 119.0° | 120.0° |
| C13 | C14 | H22 | H23 | 118.4° | 120.0° |
| C13 | C14 | C15 | H25 | 36.5° | 60.0° |
| C13 | C14 | C15 | H24 | 82.9° | 60.0° |
| C14 | C15 | C16 | H25 | 120.3° | 120.0° |
| C14 | C15 | C16 | H24 | 120.3° | 120.0° |
| C14 | C15 | C16 | C17 | 174.2° | 180.0° |
| C15 | C14 | C13 | H20 | 39.7° | 60.0° |
| C15 | C14 | C13 | H21 | 79.6° | 60.0° |
| C15 | C14 | H22 | H23 | 118.4° | 120.0° |
| C14 | C15 | H25 | H24 | 119.2° | 120.0° |
| C14 | C15 | C16 | H26 | 53.6° | 60.0° |
| C14 | C15 | C16 | H27 | 65.1° | 60.0° |
| C15 | C16 | C17 | H26 | 120.6° | 120.0° |
| C15 | C16 | C17 | H27 | 120.6° | 120.0° |
| C15 | C16 | C17 | C18 | 166.8° | 180.0° |
| C16 | C15 | C14 | H22 | 82.6° | 60.0° |
| C16 | C15 | C14 | H23 | 36.3° | 60.0° |
| C16 | C15 | H25 | H24 | 119.1° | 120.0° |
| C15 | C16 | H26 | H27 | 118.1° | 120.0° |
| C15 | C16 | C17 | H28 | 72.8° | 60.0° |
| C15 | C16 | C17 | H29 | 46.5° | 60.0° |
| C16 | C17 | C18 | H28 | 120.3° | 120.0° |
| C16 | C17 | C18 | H29 | 120.3° | 120.0° |
| C16 | C17 | C18 | C19 | 63.2° | 180.0° |
| C17 | C16 | C15 | H25 | 65.5° | 60.0° |
| C17 | C16 | C15 | H24 | 54.0° | 60.0° |
| C17 | C16 | H26 | H27 | 118.1° | 120.0° |
| C16 | C17 | H28 | H29 | 118.9° | 120.0° |
| C16 | C17 | C18 | H30 | 176.3° | 60.0° |
| C16 | C17 | C18 | H31 | 57.4° | 60.0° |
| C17 | C18 | C19 | H30 | 120.6° | 120.1° |
| C17 | C18 | C19 | H31 | 120.6° | 120.0° |
| C17 | C18 | C19 | C20 | 167.5° | 180.0° |
| C18 | C17 | C16 | H26 | 46.2° | 60.0° |
| C18 | C17 | C16 | H27 | 72.6° | 60.0° |
| C18 | C17 | H28 | H29 | 119.0° | 120.0° |
| C17 | C18 | H30 | H31 | 118.2° | 120.1° |
| C17 | C18 | C19 | H33 | 72.2° | 60.0° |
| C17 | C18 | C19 | H32 | 47.2° | 60.0° |
| C18 | C19 | C20 | H33 | 120.3° | 120.0° |
| C18 | C19 | C20 | H32 | 120.3° | 120.0° |
| C18 | C19 | C20 | C21 | 57.3° | 180.0° |
| C19 | C18 | C17 | H28 | 57.2° | 60.0° |
| C19 | C18 | C17 | H29 | 176.5° | 60.0° |
| C19 | C18 | H30 | H31 | 118.2° | 119.9° |
| C18 | C19 | H33 | H32 | 119.1° | 120.0° |
| C18 | C19 | C20 | H34 | 63.0° | 60.0° |
| C18 | C19 | C20 | H35 | 177.7° | 60.0° |
| C19 | C20 | C21 | H34 | 120.3° | 120.0° |
| C19 | C20 | C21 | H35 | 120.3° | 120.0° |
| C19 | C20 | C21 | C26 | 74.0° | 90.0° |
| C19 | C20 | C21 | C22 | 105.6° | 90.3° |
| C20 | C19 | C18 | H30 | 47.0° | 60.0° |
| C20 | C19 | C18 | H31 | 71.9° | 60.0° |
| C20 | C19 | H33 | H32 | 119.1° | 120.0° |
| C19 | C20 | H34 | H35 | 118.9° | 120.0° |
| C20 | C21 | C26 | C22 | 179.7° | 179.8° |
| C20 | C21 | C26 | C25 | 179.5° | 180.0° |
| C20 | C21 | C22 | C23 | 179.1° | 179.8° |
| C21 | C20 | C19 | H33 | 177.6° | 60.0° |
| C21 | C20 | C19 | H32 | 63.0° | 60.0° |
| C21 | C20 | H34 | H35 | 119.0° | 120.0° |
| C20 | C21 | C26 | H40 | 0.5° | 0.0° |
| C20 | C21 | C22 | H36 | 0.9° | 0.1° |
| C21 | C26 | C25 | H40 | 180.0° | 180.0° |
| C26 | C21 | C22 | C23 | 0.6° | 0.4° |
| C21 | C26 | C25 | C24 | 0.4° | 0.0° |
| C26 | C21 | C20 | H34 | 165.6° | 30.0° |
| C26 | C21 | C20 | H35 | 46.3° | 150.0° |
| C21 | C26 | C25 | H39 | 179.6° | 180.0° |
| C26 | C21 | C22 | H36 | 179.4° | 179.7° |
| C22 | C21 | C26 | C25 | 0.2° | 0.2° |
| C21 | C22 | C23 | H36 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.3° | 0.4° |
| C22 | C21 | C20 | H34 | 14.7° | 149.8° |
| C22 | C21 | C20 | H35 | 134.0° | 29.8° |
| C22 | C21 | C26 | H40 | 179.8° | 179.8° |
| C21 | C22 | C23 | H37 | 179.7° | 179.7° |
| C26 | C25 | C24 | H39 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.7° | 0.1° |
| C26 | C25 | C24 | H38 | 179.3° | 180.0° |
| C22 | C23 | C24 | C25 | 0.3° | 0.1° |
| C22 | C23 | C24 | H37 | 180.0° | 179.9° |
| C22 | C23 | C24 | H38 | 179.7° | 179.8° |
| C25 | C24 | C23 | H38 | 180.0° | 179.9° |
| C24 | C25 | C26 | H40 | 179.6° | 180.0° |
| C25 | C24 | C23 | H37 | 179.7° | 180.0° |
| C23 | C24 | C25 | H39 | 179.3° | 180.0° |
| C24 | C23 | C22 | H36 | 179.7° | 179.8° |
| HA | CA | C9 | H15 | 62.1° | 175.0° |
| HA | CA | C9 | H16 | 57.4° | 64.9° |
| HA | CA | N | H | 62.8° | 56.1° |
| HA | CA | C | OXT | 53.1° | 40.0° |
| HA | CA | N | H2 | 57.2° | 180.0° |
| H71 | C43 | C42 | H68 | 130.8° | 179.9° |
| H71 | C43 | C42 | H69 | 110.6° | 60.0° |
| H70 | C43 | C42 | H68 | 11.9° | 60.1° |
| H70 | C43 | C42 | H69 | 130.5° | 180.0° |
| H20 | C13 | C14 | H22 | 160.3° | 179.9° |
| H20 | C13 | C14 | H23 | 80.8° | 60.0° |
| H21 | C13 | C14 | H22 | 40.9° | 59.9° |
| H21 | C13 | C14 | H23 | 159.9° | 180.0° |
| H22 | C14 | C15 | H25 | 157.1° | 180.0° |
| H22 | C14 | C15 | H24 | 37.6° | 60.0° |
| H23 | C14 | C15 | H25 | 84.0° | 60.0° |
| H23 | C14 | C15 | H24 | 156.6° | 180.0° |
| H25 | C15 | C16 | H26 | 173.9° | 180.0° |
| H25 | C15 | C16 | H27 | 55.1° | 60.0° |
| H24 | C15 | C16 | H26 | 66.7° | 60.0° |
| H24 | C15 | C16 | H27 | 174.6° | 180.0° |
| H26 | C16 | C17 | H28 | 166.6° | 179.9° |
| H26 | C16 | C17 | H29 | 74.1° | 60.0° |
| H27 | C16 | C17 | H28 | 47.8° | 60.0° |
| H27 | C16 | C17 | H29 | 167.1° | 180.0° |
| H28 | C17 | C18 | H30 | 63.4° | 180.0° |
| H28 | C17 | C18 | H31 | 177.8° | 60.0° |
| H29 | C17 | C18 | H30 | 55.9° | 60.0° |
| H29 | C17 | C18 | H31 | 62.9° | 180.0° |
| H30 | C18 | C19 | H33 | 167.3° | 180.0° |
| H30 | C18 | C19 | H32 | 73.3° | 60.1° |
| H31 | C18 | C19 | H33 | 48.4° | 60.0° |
| H31 | C18 | C19 | H32 | 167.8° | 180.0° |
| H33 | C19 | C20 | H34 | 57.3° | 179.9° |
| H33 | C19 | C20 | H35 | 62.0° | 60.0° |
| H32 | C19 | C20 | H34 | 176.7° | 60.0° |
| H32 | C19 | C20 | H35 | 57.4° | 180.0° |
| H40 | C26 | C25 | H39 | 0.4° | 0.0° |
| H39 | C25 | C24 | H38 | 0.7° | 0.1° |
| H38 | C24 | C23 | H37 | 0.3° | 0.1° |
| H37 | C23 | C22 | H36 | 0.3° | 0.1° |
| H52 | C34 | C35 | H55 | 174.3° | 180.0° |
| H52 | C34 | C35 | H54 | 66.1° | 60.0° |
| H52 | C34 | C33 | O1 | 87.5° | 60.0° |
| H53 | C34 | C35 | H55 | 55.9° | 60.0° |
| H53 | C34 | C35 | H54 | 175.4° | 180.0° |
| H53 | C34 | C33 | O1 | 154.1° | 60.0° |
| H55 | C35 | C36 | H57 | 91.9° | 180.0° |
| H55 | C35 | C36 | H56 | 27.1° | 60.0° |
| H54 | C35 | C36 | H57 | 148.6° | 60.0° |
| H54 | C35 | C36 | H56 | 92.4° | 180.0° |
| H57 | C36 | C37 | H59 | 77.0° | 180.0° |
| H57 | C36 | C37 | H58 | 42.2° | 60.1° |
| H56 | C36 | C37 | H59 | 164.0° | 60.1° |
| H56 | C36 | C37 | H58 | 76.8° | 180.0° |
| H59 | C37 | C38 | H61 | 110.9° | 180.0° |
| H59 | C37 | C38 | H60 | 130.9° | 60.0° |
| H58 | C37 | C38 | H61 | 130.0° | 60.0° |
| H58 | C37 | C38 | H60 | 11.7° | 180.0° |
| H61 | C38 | C39 | H62 | 17.4° | 180.0° |
| H61 | C38 | C39 | H63 | 101.2° | 59.9° |
| H60 | C38 | C39 | H62 | 100.9° | 59.9° |
| H60 | C38 | C39 | H63 | 140.5° | 180.0° |
| H62 | C39 | C40 | H64 | 154.2° | 180.0° |
| H62 | C39 | C40 | H65 | 87.0° | 60.0° |
| H63 | C39 | C40 | H64 | 35.6° | 60.0° |
| H63 | C39 | C40 | H65 | 154.4° | 180.0° |
| H64 | C40 | C41 | H66 | 172.0° | 180.0° |
| H64 | C40 | C41 | H67 | 69.2° | 60.0° |
| H65 | C40 | C41 | H66 | 69.2° | 60.0° |
| H65 | C40 | C41 | H67 | 49.6° | 180.0° |
| H66 | C41 | C42 | H68 | 125.1° | 60.1° |
| H66 | C41 | C42 | H69 | 116.3° | 179.9° |
| H67 | C41 | C42 | H68 | 6.4° | 179.9° |
| H67 | C41 | C42 | H69 | 124.9° | 60.1° |
