5N0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C63 | doub | 1.21Å | 1.27Å | |
| O11 | C63 | sing | 1.35Å | 1.27Å | |
| C63 | C59 | sing | 1.48Å | 1.56Å | |
| C59 | C58 | doub | 1.39Å | 1.40Å | Aromatic |
| C59 | C60 | sing | 1.40Å | 1.40Å | Aromatic |
| C58 | C57 | sing | 1.39Å | 1.40Å | Aromatic |
| O10 | C56 | doub | 1.21Å | 1.19Å | |
| C60 | C61 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C56 | sing | 1.48Å | 1.56Å | |
| C57 | C62 | doub | 1.40Å | 1.39Å | Aromatic |
| C56 | N25 | sing | 1.35Å | 1.48Å | |
| C61 | C62 | sing | 1.38Å | 1.39Å | Aromatic |
| N25 | C55 | sing | 1.47Å | 1.48Å | |
| C55 | C54 | sing | 1.53Å | 1.56Å | |
| C54 | C53 | sing | 1.53Å | 1.56Å | |
| C64 | N24 | sing | 1.47Å | 1.48Å | |
| N24 | C53 | sing | 1.47Å | 1.50Å | |
| N24 | C52 | sing | 1.47Å | 1.49Å | |
| C1 | N1 | sing | 1.46Å | 1.47Å | |
| C2 | N1 | sing | 1.36Å | 1.34Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.40Å | Aromatic |
| C52 | C51 | sing | 1.53Å | 1.55Å | |
| N1 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| C3 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| O9 | C49 | doub | 1.22Å | 1.18Å | |
| C4 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| C4 | C5 | sing | 1.47Å | 1.54Å | |
| C51 | C50 | sing | 1.53Å | 1.56Å | |
| C45 | N22 | sing | 1.47Å | 1.47Å | |
| O1 | C5 | doub | 1.22Å | 1.19Å | |
| C50 | N23 | sing | 1.46Å | 1.47Å | |
| C49 | N23 | sing | 1.35Å | 1.46Å | |
| C49 | C44 | sing | 1.47Å | 1.53Å | |
| C5 | N3 | sing | 1.35Å | 1.48Å | |
| N22 | C44 | sing | 1.38Å | 1.33Å | Aromatic |
| N22 | C46 | sing | 1.36Å | 1.33Å | Aromatic |
| C44 | C47 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C9 | sing | 1.40Å | 1.47Å | |
| C46 | C48 | doub | 1.36Å | 1.40Å | Aromatic |
| C47 | C48 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| C9 | N4 | sing | 1.33Å | 1.34Å | Aromatic |
| C8 | N5 | sing | 1.36Å | 1.34Å | Aromatic |
| C48 | N21 | sing | 1.41Å | 1.45Å | |
| N5 | C7 | sing | 1.46Å | 1.45Å | |
| N5 | C6 | sing | 1.37Å | 1.33Å | Aromatic |
| N4 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| N21 | C43 | sing | 1.35Å | 1.47Å | |
| C6 | C10 | sing | 1.47Å | 1.55Å | |
| O8 | C43 | doub | 1.22Å | 1.19Å | |
| C43 | C39 | sing | 1.47Å | 1.56Å | |
| C10 | N6 | sing | 1.35Å | 1.48Å | |
| C10 | O2 | doub | 1.22Å | 1.20Å | |
| N6 | C14 | sing | 1.41Å | 1.45Å | |
| C39 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | N20 | sing | 1.38Å | 1.32Å | Aromatic |
| C38 | C42 | sing | 1.40Å | 1.41Å | Aromatic |
| C40 | N20 | sing | 1.47Å | 1.47Å | |
| N20 | C41 | sing | 1.36Å | 1.35Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.36Å | 1.41Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.57Å | |
| C25 | N11 | sing | 1.47Å | 1.43Å | |
| C25 | C26 | sing | 1.51Å | 1.53Å | |
| C15 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C41 | doub | 1.36Å | 1.38Å | Aromatic |
| C42 | N19 | sing | 1.41Å | 1.45Å | |
| C13 | N7 | sing | 1.36Å | 1.34Å | Aromatic |
| N14 | C26 | sing | 1.35Å | 1.51Å | |
| N14 | C29 | sing | 1.40Å | 1.50Å | |
| C23 | N10 | sing | 1.47Å | 1.49Å | |
| N19 | C37 | sing | 1.35Å | 1.46Å | |
| C26 | O5 | doub | 1.21Å | 1.19Å | |
| N10 | C22 | sing | 1.35Å | 1.46Å | |
| C11 | N7 | sing | 1.38Å | 1.32Å | Aromatic |
| C11 | C16 | sing | 1.47Å | 1.51Å | |
| N8 | C21 | sing | 1.41Å | 1.47Å | |
| N8 | C16 | sing | 1.35Å | 1.45Å | |
| C20 | C21 | sing | 1.40Å | 1.38Å | Aromatic |
| C20 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| N7 | C12 | sing | 1.47Å | 1.48Å | |
| C29 | N15 | sing | 1.33Å | 1.35Å | Aromatic |
| C29 | C28 | doub | 1.36Å | 1.40Å | Aromatic |
| N15 | C30 | doub | 1.32Å | 1.33Å | Aromatic |
| C35 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.41Å | Aromatic |
| C21 | C19 | doub | 1.36Å | 1.40Å | Aromatic |
| C16 | O3 | doub | 1.22Å | 1.18Å | |
| C37 | O7 | doub | 1.22Å | 1.18Å | |
| C37 | C32 | sing | 1.47Å | 1.57Å | |
| C22 | C17 | sing | 1.47Å | 1.56Å | |
| C22 | O4 | doub | 1.22Å | 1.20Å | |
| N17 | C36 | sing | 1.41Å | 1.48Å | |
| N17 | C31 | sing | 1.35Å | 1.47Å | |
| C17 | N9 | sing | 1.38Å | 1.35Å | Aromatic |
| C32 | N18 | sing | 1.38Å | 1.34Å | Aromatic |
| C36 | C34 | doub | 1.36Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.47Å | 1.58Å | |
| C30 | N16 | sing | 1.37Å | 1.33Å | Aromatic |
| C28 | N16 | sing | 1.36Å | 1.34Å | Aromatic |
| C19 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| C31 | O6 | doub | 1.22Å | 1.19Å | |
| N9 | C18 | sing | 1.47Å | 1.47Å | |
| N16 | C27 | sing | 1.47Å | 1.47Å | |
| N18 | C34 | sing | 1.36Å | 1.34Å | Aromatic |
| N18 | C33 | sing | 1.46Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.08Å | 1.08Å | |
| N3 | H6 | sing | 0.97Å | 1.00Å | |
| N6 | H7 | sing | 0.97Å | 1.00Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| N8 | H12 | sing | 0.97Å | 1.00Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| N11 | H14 | sing | 1.01Å | 1.00Å | |
| N11 | H15 | sing | 1.01Å | 1.00Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.08Å | 1.08Å | |
| N14 | H21 | sing | 0.97Å | 1.00Å | |
| C15 | H22 | sing | 1.08Å | 1.08Å | |
| N17 | H23 | sing | 0.97Å | 1.00Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| N19 | H28 | sing | 0.97Å | 1.00Å | |
| C20 | H29 | sing | 1.08Å | 1.08Å | |
| N21 | H30 | sing | 0.97Å | 1.00Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| N23 | H33 | sing | 0.97Å | 1.00Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.08Å | 1.08Å | |
| C33 | H41 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C33 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.08Å | 1.08Å | |
| C35 | H45 | sing | 1.08Å | 1.08Å | |
| C38 | H46 | sing | 1.08Å | 1.08Å | |
| C40 | H47 | sing | 1.09Å | 1.10Å | |
| C40 | H48 | sing | 1.09Å | 1.10Å | |
| C40 | H49 | sing | 1.09Å | 1.10Å | |
| C41 | H50 | sing | 1.08Å | 1.08Å | |
| C45 | H51 | sing | 1.09Å | 1.10Å | |
| C45 | H52 | sing | 1.09Å | 1.10Å | |
| C45 | H53 | sing | 1.09Å | 1.10Å | |
| C46 | H54 | sing | 1.08Å | 1.08Å | |
| C47 | H55 | sing | 1.08Å | 1.08Å | |
| C50 | H56 | sing | 1.09Å | 1.10Å | |
| C50 | H57 | sing | 1.09Å | 1.10Å | |
| C51 | H58 | sing | 1.09Å | 1.10Å | |
| C51 | H59 | sing | 1.09Å | 1.10Å | |
| C52 | H60 | sing | 1.09Å | 1.10Å | |
| C52 | H61 | sing | 1.09Å | 1.10Å | |
| C53 | H62 | sing | 1.09Å | 1.10Å | |
| C53 | H63 | sing | 1.09Å | 1.10Å | |
| C54 | H64 | sing | 1.09Å | 1.10Å | |
| C54 | H65 | sing | 1.09Å | 1.10Å | |
| C55 | H66 | sing | 1.09Å | 1.10Å | |
| C55 | H67 | sing | 1.09Å | 1.10Å | |
| C58 | H68 | sing | 1.08Å | 1.08Å | |
| C60 | H69 | sing | 1.08Å | 1.08Å | |
| C61 | H70 | sing | 1.08Å | 1.08Å | |
| C62 | H71 | sing | 1.08Å | 1.08Å | |
| C64 | H72 | sing | 1.09Å | 1.10Å | |
| C64 | H73 | sing | 1.09Å | 1.10Å | |
| C64 | H74 | sing | 1.09Å | 1.10Å | |
| N25 | H76 | sing | 0.97Å | 1.00Å | |
| O11 | H77 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C63 | O11 | 118.1° | 120.0° |
| O12 | C63 | C59 | 120.3° | 120.0° |
| O11 | C63 | C59 | 121.6° | 120.0° |
| C63 | O11 | H77 | 109.5° | 117.0° |
| C63 | C59 | C58 | 121.1° | 120.1° |
| C63 | C59 | C60 | 120.8° | 120.1° |
| C58 | C59 | C60 | 118.1° | 119.8° |
| C59 | C58 | C57 | 121.4° | 119.7° |
| C59 | C58 | H68 | 119.3° | 120.1° |
| C59 | C60 | C61 | 120.4° | 120.1° |
| C59 | C60 | H69 | 119.8° | 119.9° |
| C58 | C57 | C56 | 119.5° | 120.1° |
| C58 | C57 | C62 | 119.5° | 119.8° |
| C57 | C58 | H68 | 119.3° | 120.1° |
| O10 | C56 | C57 | 117.1° | 120.0° |
| O10 | C56 | N25 | 117.6° | 120.0° |
| C60 | C61 | C62 | 121.2° | 120.3° |
| C61 | C60 | H69 | 119.8° | 119.9° |
| C60 | C61 | H70 | 119.4° | 119.8° |
| C56 | C57 | C62 | 120.9° | 120.1° |
| C57 | C56 | N25 | 125.3° | 120.0° |
| C57 | C62 | C61 | 119.3° | 120.2° |
| C57 | C62 | H71 | 120.4° | 119.9° |
| C56 | N25 | C55 | 126.7° | 120.0° |
| C56 | N25 | H76 | 116.6° | 120.0° |
| C62 | C61 | H70 | 119.4° | 119.9° |
| C61 | C62 | H71 | 120.3° | 119.9° |
| N25 | C55 | C54 | 110.1° | 109.4° |
| N25 | C55 | H66 | 109.3° | 109.5° |
| N25 | C55 | H67 | 109.3° | 109.5° |
| C55 | N25 | H76 | 116.7° | 120.0° |
| C55 | C54 | C53 | 111.0° | 109.4° |
| C55 | C54 | H64 | 109.1° | 109.5° |
| C55 | C54 | H65 | 109.1° | 109.5° |
| C54 | C55 | H66 | 109.3° | 109.5° |
| C54 | C55 | H67 | 109.3° | 109.5° |
| C54 | C53 | N24 | 111.0° | 109.5° |
| C54 | C53 | H62 | 109.1° | 109.5° |
| C54 | C53 | H63 | 109.1° | 109.5° |
| C53 | C54 | H64 | 109.1° | 109.5° |
| C53 | C54 | H65 | 109.1° | 109.5° |
| C64 | N24 | C53 | 113.4° | 111.0° |
| C64 | N24 | C52 | 113.5° | 111.0° |
| N24 | C64 | H72 | 109.5° | 109.4° |
| N24 | C64 | H73 | 109.5° | 109.5° |
| N24 | C64 | H74 | 109.5° | 109.5° |
| C53 | N24 | C52 | 113.9° | 111.0° |
| N24 | C53 | H62 | 109.1° | 109.5° |
| N24 | C53 | H63 | 109.1° | 109.5° |
| N24 | C52 | C51 | 110.5° | 109.5° |
| N24 | C52 | H60 | 109.2° | 109.5° |
| N24 | C52 | H61 | 109.2° | 109.4° |
| C1 | N1 | C2 | 127.0° | 126.5° |
| C1 | N1 | C4 | 124.8° | 126.4° |
| N1 | C1 | H1 | 109.5° | 109.5° |
| N1 | C1 | H2 | 109.5° | 109.4° |
| N1 | C1 | H3 | 109.5° | 109.5° |
| N1 | C2 | C3 | 107.2° | 107.1° |
| C2 | N1 | C4 | 108.2° | 107.0° |
| N1 | C2 | H4 | 126.4° | 126.5° |
| C2 | C3 | N2 | 106.4° | 108.4° |
| C3 | C2 | H4 | 126.4° | 126.5° |
| C2 | C3 | H5 | 126.8° | 125.7° |
| C52 | C51 | C50 | 111.5° | 109.5° |
| C52 | C51 | H58 | 109.0° | 109.5° |
| C52 | C51 | H59 | 109.0° | 109.5° |
| C51 | C52 | H60 | 109.2° | 109.5° |
| C51 | C52 | H61 | 109.2° | 109.5° |
| N1 | C4 | N2 | 109.7° | 108.3° |
| N1 | C4 | C5 | 125.9° | 125.9° |
| C3 | N2 | C4 | 108.5° | 109.2° |
| N2 | C3 | H5 | 126.8° | 125.9° |
| O9 | C49 | N23 | 122.6° | 120.0° |
| O9 | C49 | C44 | 123.1° | 120.0° |
| N2 | C4 | C5 | 124.3° | 125.8° |
| C4 | C5 | O1 | 121.3° | 120.0° |
| C4 | C5 | N3 | 117.2° | 120.0° |
| C51 | C50 | N23 | 106.9° | 109.5° |
| C51 | C50 | H56 | 110.1° | 109.5° |
| C51 | C50 | H57 | 110.1° | 109.5° |
| C50 | C51 | H58 | 109.0° | 109.5° |
| C50 | C51 | H59 | 109.0° | 109.5° |
| C45 | N22 | C44 | 126.3° | 125.6° |
| C45 | N22 | C46 | 124.9° | 125.7° |
| N22 | C45 | H51 | 109.5° | 109.4° |
| N22 | C45 | H52 | 109.5° | 109.4° |
| N22 | C45 | H53 | 109.5° | 109.5° |
| O1 | C5 | N3 | 121.5° | 120.0° |
| C50 | N23 | C49 | 118.8° | 120.0° |
| C50 | N23 | H33 | 120.6° | 120.0° |
| N23 | C50 | H56 | 110.1° | 109.4° |
| N23 | C50 | H57 | 110.1° | 109.4° |
| N23 | C49 | C44 | 114.1° | 120.0° |
| C49 | N23 | H33 | 120.6° | 120.0° |
| C49 | C44 | N22 | 129.0° | 126.2° |
| C49 | C44 | C47 | 119.9° | 126.1° |
| C5 | N3 | C9 | 122.3° | 120.0° |
| C5 | N3 | H6 | 118.9° | 120.0° |
| C44 | N22 | C46 | 108.8° | 108.7° |
| N22 | C44 | C47 | 111.0° | 107.7° |
| N22 | C46 | C48 | 108.0° | 108.8° |
| N22 | C46 | H54 | 126.0° | 125.6° |
| C44 | C47 | C48 | 104.0° | 107.1° |
| C44 | C47 | H55 | 128.0° | 126.5° |
| N3 | C9 | C8 | 126.8° | 125.9° |
| N3 | C9 | N4 | 126.2° | 125.8° |
| C9 | N3 | H6 | 118.8° | 120.1° |
| C46 | C48 | C47 | 108.1° | 107.7° |
| C46 | C48 | N21 | 127.0° | 126.1° |
| C48 | C46 | H54 | 126.0° | 125.6° |
| C47 | C48 | N21 | 124.7° | 126.2° |
| C48 | C47 | H55 | 128.0° | 126.4° |
| C8 | C9 | N4 | 106.9° | 108.2° |
| C9 | C8 | N5 | 107.5° | 107.0° |
| C9 | C8 | H11 | 126.3° | 126.5° |
| C9 | N4 | C6 | 107.4° | 109.2° |
| C8 | N5 | C7 | 127.4° | 126.4° |
| C8 | N5 | C6 | 107.7° | 107.1° |
| N5 | C8 | H11 | 126.3° | 126.5° |
| C48 | N21 | C43 | 124.9° | 120.0° |
| C48 | N21 | H30 | 117.6° | 120.0° |
| C7 | N5 | C6 | 125.0° | 126.5° |
| N5 | C7 | H8 | 109.5° | 109.5° |
| N5 | C7 | H9 | 109.5° | 109.5° |
| N5 | C7 | H10 | 109.5° | 109.5° |
| N5 | C6 | N4 | 110.5° | 108.5° |
| N5 | C6 | C10 | 124.2° | 125.8° |
| N4 | C6 | C10 | 125.3° | 125.8° |
| N21 | C43 | O8 | 120.0° | 120.0° |
| N21 | C43 | C39 | 117.3° | 120.0° |
| C43 | N21 | H30 | 117.6° | 120.0° |
| C6 | C10 | N6 | 117.8° | 120.0° |
| C6 | C10 | O2 | 119.6° | 120.0° |
| O8 | C43 | C39 | 122.6° | 120.0° |
| C43 | C39 | C38 | 126.3° | 126.2° |
| C43 | C39 | N20 | 126.1° | 126.1° |
| N6 | C10 | O2 | 122.5° | 120.0° |
| C10 | N6 | C14 | 119.0° | 120.0° |
| C10 | N6 | H7 | 120.5° | 120.0° |
| N6 | C14 | C15 | 123.9° | 126.2° |
| N6 | C14 | C13 | 128.4° | 126.1° |
| C14 | N6 | H7 | 120.5° | 120.0° |
| C38 | C39 | N20 | 107.3° | 107.7° |
| C39 | C38 | C42 | 106.8° | 107.1° |
| C39 | C38 | H46 | 126.6° | 126.4° |
| C39 | N20 | C40 | 125.8° | 125.6° |
| C39 | N20 | C41 | 111.1° | 108.7° |
| C38 | C42 | C41 | 106.3° | 107.7° |
| C38 | C42 | N19 | 127.0° | 126.1° |
| C42 | C38 | H46 | 126.6° | 126.5° |
| C40 | N20 | C41 | 123.1° | 125.6° |
| N20 | C40 | H47 | 109.5° | 109.5° |
| N20 | C40 | H48 | 109.5° | 109.5° |
| N20 | C40 | H49 | 109.5° | 109.4° |
| N20 | C41 | C42 | 108.4° | 108.7° |
| N20 | C41 | H50 | 125.8° | 125.7° |
| C15 | C14 | C13 | 107.7° | 107.7° |
| C14 | C15 | C11 | 102.9° | 107.1° |
| C14 | C15 | H22 | 128.5° | 126.4° |
| C14 | C13 | N7 | 109.2° | 108.7° |
| C14 | C13 | H20 | 125.4° | 125.6° |
| C25 | C24 | C23 | 136.1° | 109.5° |
| C24 | C25 | N11 | 104.2° | 109.5° |
| C24 | C25 | C26 | 96.5° | 109.5° |
| C25 | C24 | H34 | 102.5° | 109.5° |
| C25 | C24 | H35 | 102.5° | 109.5° |
| C24 | C25 | H36 | 112.3° | 109.4° |
| C24 | C23 | N10 | 118.1° | 109.5° |
| C24 | C23 | H31 | 107.3° | 109.4° |
| C24 | C23 | H32 | 107.3° | 109.5° |
| C23 | C24 | H34 | 102.5° | 109.4° |
| C23 | C24 | H35 | 102.5° | 109.5° |
| N11 | C25 | C26 | 115.5° | 109.5° |
| C25 | N11 | H14 | 109.5° | 111.0° |
| C25 | N11 | H15 | 109.5° | 111.0° |
| N11 | C25 | H36 | 114.2° | 109.5° |
| C25 | C26 | N14 | 124.4° | 120.0° |
| C25 | C26 | O5 | 114.7° | 120.0° |
| C26 | C25 | H36 | 112.4° | 109.5° |
| C15 | C11 | N7 | 113.6° | 107.7° |
| C15 | C11 | C16 | 118.9° | 126.1° |
| C11 | C15 | H22 | 128.5° | 126.5° |
| C41 | C42 | N19 | 126.6° | 126.1° |
| C42 | C41 | H50 | 125.8° | 125.6° |
| C42 | N19 | C37 | 123.9° | 120.0° |
| C42 | N19 | H28 | 118.0° | 120.0° |
| C13 | N7 | C11 | 106.5° | 108.7° |
| C13 | N7 | C12 | 125.8° | 125.6° |
| N7 | C13 | H20 | 125.4° | 125.6° |
| C26 | N14 | C29 | 118.7° | 120.0° |
| N14 | C26 | O5 | 120.8° | 120.0° |
| C26 | N14 | H21 | 120.6° | 120.0° |
| N14 | C29 | N15 | 124.5° | 125.9° |
| N14 | C29 | C28 | 130.4° | 125.9° |
| C29 | N14 | H21 | 120.7° | 120.0° |
| C23 | N10 | C22 | 115.3° | 120.0° |
| C23 | N10 | H13 | 122.4° | 120.0° |
| N10 | C23 | H31 | 107.3° | 109.4° |
| N10 | C23 | H32 | 107.3° | 109.5° |
| N19 | C37 | O7 | 122.7° | 120.0° |
| N19 | C37 | C32 | 115.3° | 120.0° |
| C37 | N19 | H28 | 118.0° | 120.0° |
| N10 | C22 | C17 | 122.2° | 120.0° |
| N10 | C22 | O4 | 116.3° | 120.0° |
| C22 | N10 | H13 | 122.3° | 120.0° |
| N7 | C11 | C16 | 127.4° | 126.2° |
| C11 | N7 | C12 | 127.6° | 125.6° |
| C11 | C16 | N8 | 114.5° | 120.0° |
| C11 | C16 | O3 | 120.0° | 120.0° |
| C21 | N8 | C16 | 117.1° | 120.0° |
| N8 | C21 | C20 | 124.9° | 126.1° |
| N8 | C21 | C19 | 128.0° | 126.1° |
| C21 | N8 | H12 | 121.5° | 120.0° |
| N8 | C16 | O3 | 125.4° | 120.0° |
| C16 | N8 | H12 | 121.4° | 120.0° |
| C21 | C20 | C17 | 106.9° | 107.1° |
| C20 | C21 | C19 | 107.1° | 107.8° |
| C21 | C20 | H29 | 126.5° | 126.4° |
| C20 | C17 | C22 | 122.1° | 126.2° |
| C20 | C17 | N9 | 107.6° | 107.7° |
| C17 | C20 | H29 | 126.6° | 126.5° |
| N7 | C12 | H17 | 109.5° | 109.5° |
| N7 | C12 | H18 | 109.4° | 109.4° |
| N7 | C12 | H19 | 109.5° | 109.4° |
| N15 | C29 | C28 | 104.7° | 108.3° |
| C29 | N15 | C30 | 111.2° | 109.2° |
| C29 | C28 | N16 | 107.5° | 107.0° |
| C29 | C28 | H40 | 126.3° | 126.5° |
| N15 | C30 | C31 | 126.4° | 125.8° |
| N15 | C30 | N16 | 107.0° | 108.5° |
| C32 | C35 | C36 | 106.1° | 107.1° |
| C35 | C32 | C37 | 122.9° | 126.1° |
| C35 | C32 | N18 | 109.2° | 107.7° |
| C32 | C35 | H45 | 126.9° | 126.4° |
| C35 | C36 | N17 | 125.4° | 126.2° |
| C35 | C36 | C34 | 105.9° | 107.8° |
| C36 | C35 | H45 | 126.9° | 126.5° |
| C21 | C19 | N9 | 107.8° | 108.7° |
| C21 | C19 | H27 | 126.1° | 125.7° |
| O7 | C37 | C32 | 122.0° | 120.0° |
| C37 | C32 | N18 | 127.7° | 126.1° |
| C17 | C22 | O4 | 121.2° | 120.0° |
| C22 | C17 | N9 | 130.2° | 126.2° |
| C36 | N17 | C31 | 121.5° | 120.0° |
| N17 | C36 | C34 | 128.7° | 126.1° |
| C36 | N17 | H23 | 119.3° | 120.0° |
| N17 | C31 | C30 | 121.8° | 120.0° |
| N17 | C31 | O6 | 118.8° | 120.0° |
| C31 | N17 | H23 | 119.3° | 120.0° |
| C17 | N9 | C19 | 110.6° | 108.7° |
| C17 | N9 | C18 | 126.0° | 125.6° |
| C32 | N18 | C34 | 109.4° | 108.7° |
| C32 | N18 | C33 | 124.3° | 125.7° |
| C36 | C34 | N18 | 109.3° | 108.7° |
| C36 | C34 | H44 | 125.3° | 125.7° |
| C31 | C30 | N16 | 126.6° | 125.8° |
| C30 | C31 | O6 | 119.4° | 120.0° |
| C30 | N16 | C28 | 109.7° | 107.1° |
| C30 | N16 | C27 | 125.5° | 126.4° |
| C28 | N16 | C27 | 124.8° | 126.5° |
| N16 | C28 | H40 | 126.3° | 126.5° |
| C19 | N9 | C18 | 123.4° | 125.7° |
| N9 | C19 | H27 | 126.1° | 125.6° |
| N9 | C18 | H24 | 109.5° | 109.4° |
| N9 | C18 | H25 | 109.4° | 109.5° |
| N9 | C18 | H26 | 109.5° | 109.5° |
| N16 | C27 | H37 | 109.5° | 109.4° |
| N16 | C27 | H38 | 109.5° | 109.5° |
| N16 | C27 | H39 | 109.5° | 109.5° |
| C34 | N18 | C33 | 126.2° | 125.6° |
| N18 | C34 | H44 | 125.3° | 125.6° |
| N18 | C33 | H41 | 109.5° | 109.5° |
| N18 | C33 | H42 | 109.5° | 109.4° |
| N18 | C33 | H43 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H8 | C7 | H10 | 109.5° | 109.5° |
| H9 | C7 | H10 | 109.5° | 109.4° |
| H14 | N11 | H15 | 109.5° | 111.0° |
| H17 | C12 | H18 | 109.5° | 109.5° |
| H17 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H24 | C18 | H25 | 109.5° | 109.5° |
| H24 | C18 | H26 | 109.4° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.4° |
| H37 | C27 | H38 | 109.5° | 109.5° |
| H37 | C27 | H39 | 109.4° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.5° |
| H41 | C33 | H42 | 109.5° | 109.5° |
| H41 | C33 | H43 | 109.5° | 109.5° |
| H42 | C33 | H43 | 109.4° | 109.4° |
| H47 | C40 | H48 | 109.5° | 109.5° |
| H47 | C40 | H49 | 109.5° | 109.5° |
| H48 | C40 | H49 | 109.5° | 109.5° |
| H51 | C45 | H52 | 109.5° | 109.5° |
| H51 | C45 | H53 | 109.5° | 109.5° |
| H52 | C45 | H53 | 109.4° | 109.6° |
| H56 | C50 | H57 | 109.5° | 109.5° |
| H58 | C51 | H59 | 109.5° | 109.4° |
| H60 | C52 | H61 | 109.5° | 109.4° |
| H62 | C53 | H63 | 109.4° | 109.5° |
| H64 | C54 | H65 | 109.4° | 109.5° |
| H66 | C55 | H67 | 109.5° | 109.5° |
| H72 | C64 | H73 | 109.4° | 109.4° |
| H72 | C64 | H74 | 109.5° | 109.5° |
| H73 | C64 | H74 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C63 | O11 | C59 | 178.9° | 180.0° |
| O12 | C63 | C59 | C58 | 0.3° | 0.0° |
| O12 | C63 | C59 | C60 | 179.0° | 180.0° |
| O12 | C63 | O11 | H77 | 0.0° | 0.0° |
| O11 | C63 | C59 | C58 | 179.1° | 180.0° |
| O11 | C63 | C59 | C60 | 0.1° | 0.0° |
| C63 | C59 | C58 | C60 | 179.3° | 180.0° |
| C63 | C59 | C58 | C57 | 180.0° | 180.0° |
| C63 | C59 | C60 | C61 | 179.4° | 180.0° |
| C63 | C59 | C58 | H68 | 0.0° | 0.0° |
| C63 | C59 | C60 | H69 | 0.6° | 0.0° |
| C59 | C63 | O11 | H77 | 178.9° | 180.0° |
| C59 | C58 | C57 | H68 | 180.0° | 180.0° |
| C58 | C59 | C60 | C61 | 0.1° | 0.0° |
| C59 | C58 | C57 | C56 | 179.5° | 180.0° |
| C59 | C58 | C57 | C62 | 1.3° | 0.3° |
| C58 | C59 | C60 | H69 | 179.9° | 180.0° |
| C60 | C59 | C58 | C57 | 0.8° | 0.0° |
| C59 | C60 | C61 | H69 | 180.0° | 180.0° |
| C59 | C60 | C61 | C62 | 0.1° | 0.4° |
| C60 | C59 | C58 | H68 | 179.2° | 180.0° |
| C59 | C60 | C61 | H70 | 179.9° | 179.9° |
| C58 | C57 | C56 | O10 | 60.0° | 0.3° |
| C58 | C57 | C56 | C62 | 178.1° | 179.7° |
| C58 | C57 | C56 | N25 | 120.2° | 179.7° |
| C58 | C57 | C62 | C61 | 1.2° | 0.6° |
| C58 | C57 | C62 | H71 | 178.8° | 179.7° |
| O10 | C56 | C57 | N25 | 179.7° | 180.0° |
| O10 | C56 | C57 | C62 | 118.1° | 180.0° |
| O10 | C56 | N25 | C55 | 180.0° | 0.0° |
| O10 | C56 | N25 | H76 | 0.0° | 180.0° |
| C60 | C61 | C62 | C57 | 0.6° | 0.7° |
| C60 | C61 | C62 | H70 | 180.0° | 179.7° |
| C60 | C61 | C62 | H71 | 179.4° | 179.7° |
| C56 | C57 | C62 | C61 | 179.3° | 179.7° |
| C57 | C56 | N25 | C55 | 0.3° | 180.0° |
| C56 | C57 | C58 | H68 | 0.5° | 0.0° |
| C56 | C57 | C62 | H71 | 0.7° | 0.0° |
| C57 | C56 | N25 | H76 | 179.7° | 0.0° |
| C62 | C57 | C56 | N25 | 61.7° | 0.0° |
| C57 | C62 | C61 | H71 | 180.0° | 179.7° |
| C62 | C57 | C58 | H68 | 178.7° | 179.7° |
| C57 | C62 | C61 | H70 | 179.4° | 179.6° |
| C56 | N25 | C55 | H76 | 180.0° | 180.0° |
| C56 | N25 | C55 | C54 | 173.3° | 180.0° |
| C56 | N25 | C55 | H66 | 66.6° | 60.0° |
| C56 | N25 | C55 | H67 | 53.3° | 60.0° |
| C62 | C61 | C60 | H69 | 179.9° | 179.7° |
| N25 | C55 | C54 | H66 | 120.1° | 120.0° |
| N25 | C55 | C54 | H67 | 120.1° | 120.0° |
| N25 | C55 | C54 | C53 | 85.2° | 180.0° |
| N25 | C55 | C54 | H64 | 35.0° | 60.0° |
| N25 | C55 | C54 | H65 | 154.5° | 60.0° |
| N25 | C55 | H66 | H67 | 119.7° | 120.0° |
| C55 | C54 | C53 | H64 | 120.3° | 120.0° |
| C55 | C54 | C53 | H65 | 120.2° | 119.9° |
| C55 | C54 | C53 | N24 | 97.0° | 180.0° |
| C55 | C54 | C53 | H62 | 142.8° | 60.0° |
| C55 | C54 | C53 | H63 | 23.3° | 60.0° |
| C55 | C54 | H64 | H65 | 119.3° | 120.0° |
| C54 | C55 | H66 | H67 | 119.7° | 120.0° |
| C54 | C55 | N25 | H76 | 6.7° | 0.0° |
| C54 | C53 | N24 | C64 | 52.9° | 66.0° |
| C54 | C53 | N24 | H62 | 120.2° | 120.0° |
| C54 | C53 | N24 | H63 | 120.2° | 120.0° |
| C54 | C53 | N24 | C52 | 175.3° | 170.0° |
| C54 | C53 | H62 | H63 | 119.3° | 120.0° |
| C53 | C54 | H64 | H65 | 119.3° | 120.0° |
| C53 | C54 | C55 | H66 | 154.7° | 60.0° |
| C53 | C54 | C55 | H67 | 34.9° | 60.1° |
| C64 | N24 | C53 | C52 | 131.8° | 124.0° |
| C64 | N24 | C52 | C51 | 103.9° | 66.0° |
| C64 | N24 | C52 | H60 | 136.0° | 173.9° |
| C64 | N24 | C52 | H61 | 16.3° | 54.0° |
| C64 | N24 | C53 | H62 | 67.3° | 54.0° |
| C64 | N24 | C53 | H63 | 173.1° | 174.0° |
| N24 | C64 | H72 | H73 | 120.0° | 120.0° |
| N24 | C64 | H72 | H74 | 120.0° | 120.0° |
| N24 | C64 | H73 | H74 | 120.0° | 120.0° |
| C53 | N24 | C52 | C51 | 27.9° | 170.0° |
| C53 | N24 | C52 | H60 | 92.2° | 50.0° |
| C53 | N24 | C52 | H61 | 148.0° | 70.0° |
| N24 | C53 | H62 | H63 | 119.3° | 120.0° |
| N24 | C53 | C54 | H64 | 23.3° | 60.0° |
| N24 | C53 | C54 | H65 | 142.8° | 60.0° |
| C53 | N24 | C64 | H72 | 180.0° | 60.0° |
| C53 | N24 | C64 | H73 | 60.0° | 180.0° |
| C53 | N24 | C64 | H74 | 60.0° | 60.0° |
| N24 | C52 | C51 | H60 | 120.2° | 120.0° |
| N24 | C52 | C51 | H61 | 120.1° | 120.0° |
| N24 | C52 | C51 | C50 | 70.9° | 180.0° |
| N24 | C52 | C51 | H58 | 49.4° | 60.0° |
| N24 | C52 | C51 | H59 | 168.9° | 60.0° |
| N24 | C52 | H60 | H61 | 119.5° | 120.0° |
| C52 | N24 | C53 | H62 | 64.5° | 70.0° |
| C52 | N24 | C53 | H63 | 55.0° | 50.0° |
| C52 | N24 | C64 | H72 | 48.0° | 64.0° |
| C52 | N24 | C64 | H73 | 167.9° | 56.0° |
| C52 | N24 | C64 | H74 | 72.1° | 176.0° |
| C1 | N1 | C2 | C4 | 177.4° | 179.6° |
| C1 | N1 | C2 | C3 | 178.6° | 179.9° |
| C1 | N1 | C4 | N2 | 178.7° | 179.9° |
| C1 | N1 | C4 | C5 | 2.5° | 0.1° |
| N1 | C1 | H1 | H2 | 120.0° | 120.0° |
| N1 | C1 | H1 | H3 | 120.0° | 120.1° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N1 | C2 | H4 | 1.4° | 0.1° |
| N1 | C2 | C3 | H4 | 180.0° | 180.0° |
| N1 | C2 | C3 | N2 | 0.8° | 0.0° |
| C2 | N1 | C4 | N2 | 1.2° | 0.5° |
| C2 | N1 | C4 | C5 | 180.0° | 179.8° |
| C2 | N1 | C1 | H1 | 180.0° | 89.6° |
| C2 | N1 | C1 | H2 | 60.0° | 30.4° |
| C2 | N1 | C1 | H3 | 60.0° | 150.3° |
| N1 | C2 | C3 | H5 | 179.3° | 179.9° |
| C3 | C2 | N1 | C4 | 1.2° | 0.3° |
| C2 | C3 | N2 | H5 | 180.0° | 179.9° |
| C2 | C3 | N2 | C4 | 0.1° | 0.3° |
| C52 | C51 | C50 | H58 | 120.3° | 120.1° |
| C52 | C51 | C50 | H59 | 120.3° | 120.0° |
| C52 | C51 | C50 | N23 | 92.5° | 180.0° |
| C52 | C51 | C50 | H56 | 27.0° | 60.0° |
| C52 | C51 | C50 | H57 | 147.8° | 60.0° |
| C52 | C51 | H58 | H59 | 119.1° | 120.0° |
| C51 | C52 | H60 | H61 | 119.5° | 120.0° |
| N1 | C4 | N2 | C3 | 0.7° | 0.5° |
| N1 | C4 | N2 | C5 | 178.9° | 179.7° |
| N1 | C4 | C5 | O1 | 14.0° | 0.1° |
| N1 | C4 | C5 | N3 | 165.4° | 180.0° |
| C4 | N1 | C1 | H1 | 3.0° | 89.9° |
| C4 | N1 | C1 | H2 | 117.0° | 150.1° |
| C4 | N1 | C1 | H3 | 123.0° | 30.1° |
| C4 | N1 | C2 | H4 | 178.8° | 179.8° |
| C3 | N2 | C4 | C5 | 179.6° | 179.8° |
| N2 | C3 | C2 | H4 | 179.2° | 180.0° |
| O9 | C49 | N23 | C50 | 3.8° | 5.0° |
| O9 | C49 | N23 | C44 | 174.2° | 179.9° |
| O9 | C49 | C44 | N22 | 18.0° | 5.2° |
| O9 | C49 | C44 | C47 | 158.8° | 174.8° |
| O9 | C49 | N23 | H33 | 176.2° | 175.0° |
| N2 | C4 | C5 | O1 | 164.7° | 179.8° |
| N2 | C4 | C5 | N3 | 15.9° | 0.3° |
| C4 | N2 | C3 | H5 | 180.0° | 179.8° |
| C4 | C5 | O1 | N3 | 179.4° | 179.9° |
| C4 | C5 | N3 | C9 | 178.0° | 180.0° |
| C4 | C5 | N3 | H6 | 2.0° | 0.0° |
| C51 | C50 | N23 | H56 | 119.6° | 120.0° |
| C51 | C50 | N23 | H57 | 119.6° | 120.0° |
| C51 | C50 | N23 | C49 | 93.5° | 180.0° |
| C51 | C50 | N23 | H33 | 86.5° | 0.0° |
| C51 | C50 | H56 | H57 | 121.2° | 120.0° |
| C50 | C51 | H58 | H59 | 119.1° | 120.0° |
| C50 | C51 | C52 | H60 | 169.0° | 60.0° |
| C50 | C51 | C52 | H61 | 49.3° | 60.0° |
| C45 | N22 | C44 | C49 | 2.6° | 0.3° |
| C45 | N22 | C44 | C46 | 179.1° | 179.8° |
| C45 | N22 | C44 | C47 | 179.6° | 179.7° |
| C45 | N22 | C46 | C48 | 179.1° | 179.7° |
| N22 | C45 | H51 | H52 | 120.0° | 119.9° |
| N22 | C45 | H51 | H53 | 120.0° | 120.0° |
| N22 | C45 | H52 | H53 | 120.0° | 120.0° |
| C45 | N22 | C46 | H54 | 0.9° | 0.3° |
| O1 | C5 | N3 | C9 | 2.6° | 0.0° |
| O1 | C5 | N3 | H6 | 177.4° | 179.9° |
| C50 | N23 | C49 | H33 | 180.0° | 180.0° |
| C50 | N23 | C49 | C44 | 178.0° | 175.0° |
| N23 | C50 | H56 | H57 | 121.2° | 120.0° |
| N23 | C50 | C51 | H58 | 147.2° | 60.0° |
| N23 | C50 | C51 | H59 | 27.8° | 60.0° |
| N23 | C49 | C44 | N22 | 167.8° | 174.9° |
| N23 | C49 | C44 | C47 | 15.4° | 5.2° |
| C49 | N23 | C50 | H56 | 26.1° | 60.0° |
| C49 | N23 | C50 | H57 | 146.9° | 59.9° |
| C49 | C44 | N22 | C47 | 177.0° | 180.0° |
| C49 | C44 | N22 | C46 | 178.3° | 180.0° |
| C49 | C44 | C47 | C48 | 179.3° | 180.0° |
| C44 | C49 | N23 | H33 | 2.0° | 5.1° |
| C49 | C44 | C47 | H55 | 0.7° | 0.1° |
| C5 | N3 | C9 | H6 | 180.0° | 180.0° |
| C5 | N3 | C9 | C8 | 2.3° | 0.0° |
| C5 | N3 | C9 | N4 | 179.4° | 180.0° |
| C44 | N22 | C46 | C48 | 0.0° | 0.0° |
| N22 | C44 | C47 | C48 | 2.0° | 0.0° |
| C44 | N22 | C45 | H51 | 180.0° | 94.8° |
| C44 | N22 | C45 | H52 | 60.0° | 145.3° |
| C44 | N22 | C45 | H53 | 60.0° | 25.2° |
| C44 | N22 | C46 | H54 | 180.0° | 180.0° |
| N22 | C44 | C47 | H55 | 178.0° | 180.0° |
| C46 | N22 | C44 | C47 | 1.3° | 0.0° |
| N22 | C46 | C48 | H54 | 180.0° | 180.0° |
| N22 | C46 | C48 | C47 | 1.3° | 0.0° |
| N22 | C46 | C48 | N21 | 176.6° | 179.9° |
| C46 | N22 | C45 | H51 | 1.1° | 84.9° |
| C46 | N22 | C45 | H52 | 121.1° | 35.0° |
| C46 | N22 | C45 | H53 | 118.9° | 155.1° |
| C44 | C47 | C48 | C46 | 1.9° | 0.0° |
| C44 | C47 | C48 | H55 | 180.0° | 179.9° |
| C44 | C47 | C48 | N21 | 177.4° | 179.9° |
| N3 | C9 | C8 | N4 | 177.5° | 180.0° |
| N3 | C9 | C8 | N5 | 178.9° | 180.0° |
| N3 | C9 | N4 | C6 | 178.6° | 180.0° |
| N3 | C9 | C8 | H11 | 1.1° | 0.1° |
| C46 | C48 | C47 | N21 | 175.5° | 179.9° |
| C46 | C48 | N21 | C43 | 17.8° | 180.0° |
| C46 | C48 | N21 | H30 | 162.2° | 0.1° |
| C46 | C48 | C47 | H55 | 178.1° | 179.9° |
| C47 | C48 | N21 | C43 | 167.6° | 0.1° |
| C47 | C48 | N21 | H30 | 12.4° | 180.0° |
| C47 | C48 | C46 | H54 | 178.7° | 180.0° |
| C9 | C8 | N5 | H11 | 180.0° | 180.0° |
| C9 | C8 | N5 | C7 | 178.7° | 180.0° |
| C9 | C8 | N5 | C6 | 1.1° | 0.0° |
| C8 | C9 | N4 | C6 | 1.1° | 0.0° |
| C8 | C9 | N3 | H6 | 177.7° | 180.0° |
| N4 | C9 | C8 | N5 | 1.4° | 0.0° |
| C9 | N4 | C6 | N5 | 0.4° | 0.0° |
| C9 | N4 | C6 | C10 | 179.3° | 180.0° |
| N4 | C9 | N3 | H6 | 0.6° | 0.1° |
| N4 | C9 | C8 | H11 | 178.7° | 180.0° |
| C8 | N5 | C7 | C6 | 179.8° | 180.0° |
| C8 | N5 | C6 | N4 | 0.5° | 0.0° |
| C8 | N5 | C6 | C10 | 178.4° | 180.0° |
| C8 | N5 | C7 | H8 | 180.0° | 90.0° |
| C8 | N5 | C7 | H9 | 60.0° | 30.1° |
| C8 | N5 | C7 | H10 | 60.0° | 150.0° |
| C48 | N21 | C43 | H30 | 180.0° | 179.9° |
| C48 | N21 | C43 | O8 | 2.1° | 5.4° |
| C48 | N21 | C43 | C39 | 175.2° | 174.7° |
| N21 | C48 | C46 | H54 | 3.4° | 0.1° |
| N21 | C48 | C47 | H55 | 2.6° | 0.0° |
| C7 | N5 | C6 | N4 | 179.4° | 180.0° |
| C7 | N5 | C6 | C10 | 1.7° | 0.0° |
| N5 | C7 | H8 | H9 | 120.0° | 120.0° |
| N5 | C7 | H8 | H10 | 120.0° | 120.0° |
| N5 | C7 | H9 | H10 | 120.0° | 120.0° |
| C7 | N5 | C8 | H11 | 1.2° | 0.0° |
| N5 | C6 | N4 | C10 | 178.9° | 180.0° |
| N5 | C6 | C10 | N6 | 164.8° | 180.0° |
| N5 | C6 | C10 | O2 | 18.2° | 0.0° |
| C6 | N5 | C7 | H8 | 0.1° | 90.0° |
| C6 | N5 | C7 | H9 | 119.9° | 149.9° |
| C6 | N5 | C7 | H10 | 120.1° | 30.0° |
| C6 | N5 | C8 | H11 | 178.9° | 180.0° |
| N4 | C6 | C10 | N6 | 16.5° | 0.0° |
| N4 | C6 | C10 | O2 | 160.6° | 180.0° |
| N21 | C43 | O8 | C39 | 177.1° | 179.9° |
| N21 | C43 | C39 | C38 | 2.2° | 5.0° |
| N21 | C43 | C39 | N20 | 176.9° | 175.1° |
| C6 | C10 | N6 | O2 | 177.0° | 180.0° |
| C6 | C10 | N6 | C14 | 177.0° | 180.0° |
| C6 | C10 | N6 | H7 | 3.0° | 0.0° |
| O8 | C43 | C39 | C38 | 175.0° | 175.0° |
| O8 | C43 | C39 | N20 | 0.3° | 5.0° |
| O8 | C43 | N21 | H30 | 177.9° | 174.8° |
| C43 | C39 | C38 | N20 | 175.5° | 179.9° |
| C43 | C39 | C38 | C42 | 177.6° | 180.0° |
| C43 | C39 | N20 | C40 | 3.6° | 0.2° |
| C43 | C39 | N20 | C41 | 176.8° | 180.0° |
| C39 | C43 | N21 | H30 | 4.8° | 5.2° |
| C43 | C39 | C38 | H46 | 2.4° | 0.1° |
| C10 | N6 | C14 | H7 | 180.0° | 179.9° |
| C10 | N6 | C14 | C15 | 175.0° | 0.0° |
| C10 | N6 | C14 | C13 | 6.3° | 180.0° |
| O2 | C10 | N6 | C14 | 0.0° | 0.0° |
| O2 | C10 | N6 | H7 | 180.0° | 179.9° |
| N6 | C14 | C15 | C13 | 179.0° | 180.0° |
| N6 | C14 | C15 | C11 | 179.7° | 180.0° |
| N6 | C14 | C13 | N7 | 179.9° | 179.8° |
| N6 | C14 | C13 | H20 | 0.1° | 0.2° |
| N6 | C14 | C15 | H22 | 0.3° | 0.1° |
| C39 | C38 | C42 | H46 | 180.0° | 180.0° |
| C38 | C39 | N20 | C40 | 179.1° | 179.7° |
| C38 | C39 | N20 | C41 | 1.3° | 0.0° |
| C39 | C38 | C42 | C41 | 2.2° | 0.0° |
| C39 | C38 | C42 | N19 | 177.4° | 180.0° |
| N20 | C39 | C38 | C42 | 2.1° | 0.0° |
| C39 | N20 | C40 | C41 | 179.5° | 179.7° |
| C39 | N20 | C41 | C42 | 0.1° | 0.1° |
| N20 | C39 | C38 | H46 | 177.9° | 180.0° |
| C39 | N20 | C40 | H47 | 180.0° | 85.1° |
| C39 | N20 | C40 | H48 | 60.0° | 34.9° |
| C39 | N20 | C40 | H49 | 60.0° | 154.9° |
| C39 | N20 | C41 | H50 | 179.9° | 180.0° |
| C38 | C42 | C41 | N20 | 1.4° | 0.0° |
| C38 | C42 | C41 | N19 | 175.2° | 180.0° |
| C38 | C42 | N19 | C37 | 172.4° | 0.0° |
| C38 | C42 | N19 | H28 | 7.6° | 180.0° |
| C38 | C42 | C41 | H50 | 178.6° | 180.0° |
| C40 | N20 | C41 | C42 | 179.5° | 179.7° |
| N20 | C40 | H47 | H48 | 120.0° | 120.1° |
| N20 | C40 | H47 | H49 | 120.0° | 119.9° |
| N20 | C40 | H48 | H49 | 120.0° | 119.9° |
| C40 | N20 | C41 | H50 | 0.5° | 0.3° |
| N20 | C41 | C42 | H50 | 180.0° | 180.0° |
| N20 | C41 | C42 | N19 | 176.7° | 180.0° |
| C41 | N20 | C40 | H47 | 0.5° | 95.2° |
| C41 | N20 | C40 | H48 | 120.5° | 144.8° |
| C41 | N20 | C40 | H49 | 119.6° | 24.8° |
| C14 | C15 | C11 | H22 | 180.0° | 179.9° |
| C15 | C14 | C13 | N7 | 1.0° | 0.2° |
| C14 | C15 | C11 | N7 | 1.3° | 0.2° |
| C14 | C15 | C11 | C16 | 178.7° | 179.8° |
| C15 | C14 | N6 | H7 | 5.0° | 179.9° |
| C15 | C14 | C13 | H20 | 179.0° | 179.8° |
| C13 | C14 | C15 | C11 | 1.3° | 0.0° |
| C14 | C13 | N7 | H20 | 180.0° | 180.0° |
| C14 | C13 | N7 | C11 | 0.1° | 0.3° |
| C14 | C13 | N7 | C12 | 178.7° | 180.0° |
| C13 | C14 | N6 | H7 | 173.7° | 0.0° |
| C13 | C14 | C15 | H22 | 178.7° | 179.9° |
| C25 | C24 | C23 | H34 | 123.3° | 120.0° |
| C25 | C24 | C23 | H35 | 123.3° | 120.1° |
| C24 | C25 | N11 | C26 | 104.5° | 120.0° |
| C24 | C25 | N11 | H36 | 122.9° | 120.0° |
| C24 | C25 | C26 | H36 | 117.4° | 120.0° |
| C24 | C25 | C26 | N14 | 98.3° | 80.0° |
| C25 | C24 | C23 | N10 | 92.4° | 180.0° |
| C24 | C25 | C26 | O5 | 78.9° | 100.0° |
| C24 | C25 | N11 | H14 | 180.0° | 64.0° |
| C24 | C25 | N11 | H15 | 60.0° | 60.0° |
| C25 | C24 | C23 | H31 | 28.9° | 60.0° |
| C25 | C24 | C23 | H32 | 146.4° | 60.0° |
| C25 | C24 | H34 | H35 | 108.2° | 120.0° |
| C23 | C24 | C25 | N11 | 88.2° | 65.0° |
| C23 | C24 | C25 | C26 | 30.2° | 175.0° |
| C24 | C23 | N10 | H31 | 121.2° | 120.0° |
| C24 | C23 | N10 | H32 | 121.3° | 120.0° |
| C24 | C23 | N10 | C22 | 111.8° | 180.0° |
| C24 | C23 | N10 | H13 | 68.2° | 0.0° |
| C24 | C23 | H31 | H32 | 116.1° | 120.0° |
| C23 | C24 | H34 | H35 | 108.2° | 119.9° |
| C23 | C24 | C25 | H36 | 147.7° | 55.0° |
| N11 | C25 | C26 | H36 | 133.5° | 120.0° |
| N11 | C25 | C26 | N14 | 152.6° | 160.0° |
| N11 | C25 | C26 | O5 | 30.2° | 20.0° |
| C25 | N11 | H14 | H15 | 120.0° | 123.9° |
| N11 | C25 | C24 | H34 | 35.1° | 55.0° |
| N11 | C25 | C24 | H35 | 148.6° | 175.0° |
| C25 | C26 | N14 | O5 | 177.0° | 180.0° |
| C25 | C26 | N14 | C29 | 173.4° | 180.0° |
| C26 | C25 | N11 | H14 | 75.5° | 176.0° |
| C26 | C25 | N11 | H15 | 164.5° | 60.0° |
| C25 | C26 | N14 | H21 | 6.5° | 0.1° |
| C26 | C25 | C24 | H34 | 153.5° | 65.0° |
| C26 | C25 | C24 | H35 | 93.0° | 55.0° |
| C15 | C11 | N7 | C13 | 0.8° | 0.3° |
| C15 | C11 | N7 | C16 | 177.1° | 180.0° |
| C15 | C11 | C16 | N8 | 20.0° | 5.0° |
| C15 | C11 | N7 | C12 | 179.5° | 180.0° |
| C15 | C11 | C16 | O3 | 155.9° | 175.0° |
| C41 | C42 | N19 | C37 | 13.4° | 180.0° |
| C41 | C42 | N19 | H28 | 166.7° | 0.0° |
| C41 | C42 | C38 | H46 | 177.8° | 180.0° |
| C42 | N19 | C37 | H28 | 180.0° | 179.9° |
| C42 | N19 | C37 | O7 | 3.7° | 5.3° |
| C42 | N19 | C37 | C32 | 175.3° | 174.8° |
| N19 | C42 | C38 | H46 | 2.6° | 0.0° |
| N19 | C42 | C41 | H50 | 3.3° | 0.0° |
| C13 | N7 | C11 | C12 | 178.8° | 179.7° |
| C13 | N7 | C11 | C16 | 177.9° | 179.7° |
| C13 | N7 | C12 | H17 | 180.0° | 94.8° |
| C13 | N7 | C12 | H18 | 60.0° | 25.2° |
| C13 | N7 | C12 | H19 | 60.0° | 145.1° |
| C26 | N14 | C29 | H21 | 180.0° | 179.9° |
| C26 | N14 | C29 | N15 | 131.1° | 180.0° |
| C26 | N14 | C29 | C28 | 40.3° | 0.0° |
| N14 | C26 | C25 | H36 | 19.1° | 40.0° |
| C29 | N14 | C26 | O5 | 3.6° | 0.0° |
| N14 | C29 | N15 | C28 | 173.3° | 180.0° |
| N14 | C29 | N15 | C30 | 175.6° | 180.0° |
| N14 | C29 | C28 | N16 | 174.7° | 180.0° |
| N14 | C29 | C28 | H40 | 5.3° | 0.0° |
| C23 | N10 | C22 | H13 | 180.0° | 180.0° |
| C23 | N10 | C22 | C17 | 177.9° | 175.0° |
| C23 | N10 | C22 | O4 | 4.5° | 5.0° |
| N10 | C23 | H31 | H32 | 116.1° | 120.0° |
| N10 | C23 | C24 | H34 | 144.4° | 60.0° |
| N10 | C23 | C24 | H35 | 30.9° | 59.9° |
| N19 | C37 | C32 | C35 | 28.6° | 5.1° |
| N19 | C37 | O7 | C32 | 178.9° | 180.0° |
| N19 | C37 | C32 | N18 | 156.3° | 174.9° |
| O5 | C26 | N14 | H21 | 176.4° | 180.0° |
| O5 | C26 | C25 | H36 | 163.7° | 140.0° |
| N10 | C22 | C17 | C20 | 20.0° | 5.0° |
| N10 | C22 | C17 | O4 | 173.0° | 180.0° |
| N10 | C22 | C17 | N9 | 164.1° | 174.9° |
| C22 | N10 | C23 | H31 | 9.5° | 60.0° |
| C22 | N10 | C23 | H32 | 127.0° | 60.0° |
| N7 | C11 | C16 | N8 | 163.1° | 174.9° |
| N7 | C11 | C16 | O3 | 21.1° | 5.0° |
| C11 | N7 | C12 | H17 | 1.5° | 84.8° |
| C11 | N7 | C12 | H18 | 118.6° | 155.2° |
| C11 | N7 | C12 | H19 | 121.5° | 35.3° |
| C11 | N7 | C13 | H20 | 179.9° | 179.7° |
| N7 | C11 | C15 | H22 | 178.6° | 179.9° |
| C11 | C16 | N8 | C21 | 175.6° | 174.7° |
| C11 | C16 | N8 | O3 | 175.6° | 180.0° |
| C16 | C11 | N7 | C12 | 3.4° | 0.0° |
| C11 | C16 | N8 | H12 | 4.4° | 5.2° |
| C16 | C11 | C15 | H22 | 1.3° | 0.1° |
| C21 | N8 | C16 | H12 | 180.0° | 179.9° |
| N8 | C21 | C20 | C19 | 178.3° | 179.9° |
| N8 | C21 | C20 | C17 | 179.5° | 179.9° |
| C21 | N8 | C16 | O3 | 0.1° | 5.4° |
| N8 | C21 | C19 | N9 | 178.6° | 179.8° |
| N8 | C21 | C19 | H27 | 1.4° | 0.2° |
| N8 | C21 | C20 | H29 | 0.5° | 0.1° |
| C16 | N8 | C21 | C20 | 165.9° | 0.2° |
| C16 | N8 | C21 | C19 | 16.2° | 180.0° |
| C21 | C20 | C17 | H29 | 180.0° | 179.9° |
| C21 | C20 | C17 | C22 | 178.4° | 179.8° |
| C21 | C20 | C17 | N9 | 1.7° | 0.2° |
| C20 | C21 | C19 | N9 | 0.3° | 0.1° |
| C20 | C21 | N8 | H12 | 14.1° | 180.0° |
| C20 | C21 | C19 | H27 | 179.6° | 179.9° |
| C17 | C20 | C21 | C19 | 1.2° | 0.1° |
| C20 | C17 | C22 | N9 | 175.9° | 180.0° |
| C20 | C17 | C22 | O4 | 153.0° | 175.0° |
| C20 | C17 | N9 | C19 | 1.5° | 0.2° |
| C20 | C17 | N9 | C18 | 179.9° | 180.0° |
| N7 | C12 | H17 | H18 | 120.0° | 120.0° |
| N7 | C12 | H17 | H19 | 120.0° | 120.0° |
| N7 | C12 | H18 | H19 | 120.0° | 119.9° |
| C12 | N7 | C13 | H20 | 1.3° | 0.0° |
| C29 | N15 | C30 | C31 | 179.6° | 180.0° |
| C29 | N15 | C30 | N16 | 1.7° | 0.0° |
| N15 | C29 | C28 | N16 | 2.0° | 0.0° |
| N15 | C29 | N14 | H21 | 48.9° | 0.1° |
| N15 | C29 | C28 | H40 | 178.0° | 180.0° |
| C28 | C29 | N15 | C30 | 2.3° | 0.0° |
| C29 | C28 | N16 | C30 | 1.0° | 0.0° |
| C29 | C28 | N16 | H40 | 180.0° | 180.0° |
| C29 | C28 | N16 | C27 | 178.4° | 180.0° |
| C28 | C29 | N14 | H21 | 139.7° | 179.9° |
| N15 | C30 | C31 | N17 | 32.2° | 0.0° |
| N15 | C30 | C31 | N16 | 178.5° | 180.0° |
| N15 | C30 | N16 | C28 | 0.4° | 0.1° |
| N15 | C30 | C31 | O6 | 146.0° | 180.0° |
| N15 | C30 | N16 | C27 | 179.8° | 180.0° |
| C32 | C35 | C36 | H45 | 180.0° | 179.8° |
| C35 | C32 | C37 | O7 | 150.4° | 174.9° |
| C35 | C32 | C37 | N18 | 175.1° | 180.0° |
| C32 | C35 | C36 | N17 | 179.4° | 179.9° |
| C32 | C35 | C36 | C34 | 0.9° | 0.4° |
| C35 | C32 | N18 | C34 | 2.7° | 0.0° |
| C35 | C32 | N18 | C33 | 179.3° | 179.8° |
| C36 | C35 | C32 | C37 | 178.1° | 179.7° |
| C35 | C36 | N17 | C34 | 178.2° | 179.6° |
| C35 | C36 | N17 | C31 | 173.6° | 0.1° |
| C36 | C35 | C32 | N18 | 2.2° | 0.2° |
| C35 | C36 | C34 | N18 | 0.7° | 0.4° |
| C35 | C36 | N17 | H23 | 6.4° | 180.0° |
| C35 | C36 | C34 | H44 | 179.2° | 179.6° |
| C21 | C19 | N9 | C17 | 0.7° | 0.2° |
| C21 | C19 | N9 | H27 | 180.0° | 180.0° |
| C21 | C19 | N9 | C18 | 179.4° | 180.0° |
| C19 | C21 | N8 | H12 | 163.9° | 0.1° |
| C19 | C21 | C20 | H29 | 178.8° | 180.0° |
| O3 | C16 | N8 | H12 | 179.9° | 174.8° |
| O7 | C37 | C32 | N18 | 24.7° | 5.1° |
| O7 | C37 | N19 | H28 | 176.3° | 174.7° |
| C37 | C32 | N18 | C34 | 178.4° | 180.0° |
| C37 | C32 | N18 | C33 | 5.1° | 0.3° |
| C32 | C37 | N19 | H28 | 4.8° | 5.3° |
| C37 | C32 | C35 | H45 | 1.9° | 0.1° |
| C22 | C17 | N9 | C19 | 177.9° | 179.8° |
| C22 | C17 | N9 | C18 | 3.5° | 0.1° |
| C17 | C22 | N10 | H13 | 2.1° | 5.0° |
| C22 | C17 | C20 | H29 | 1.6° | 0.1° |
| O4 | C22 | C17 | N9 | 22.9° | 5.0° |
| O4 | C22 | N10 | H13 | 175.5° | 175.0° |
| C36 | N17 | C31 | H23 | 180.0° | 179.9° |
| C36 | N17 | C31 | C30 | 178.0° | 180.0° |
| C36 | N17 | C31 | O6 | 0.2° | 0.1° |
| N17 | C36 | C34 | N18 | 177.7° | 179.9° |
| N17 | C36 | C34 | H44 | 2.3° | 0.1° |
| N17 | C36 | C35 | H45 | 0.6° | 0.1° |
| C31 | N17 | C36 | C34 | 4.6° | 179.5° |
| N17 | C31 | C30 | O6 | 178.1° | 179.9° |
| N17 | C31 | C30 | N16 | 149.4° | 179.9° |
| C17 | N9 | C19 | C18 | 178.7° | 179.8° |
| C17 | N9 | C18 | H24 | 180.0° | 94.8° |
| C17 | N9 | C18 | H25 | 60.0° | 145.3° |
| C17 | N9 | C18 | H26 | 60.0° | 25.2° |
| C17 | N9 | C19 | H27 | 179.3° | 179.8° |
| N9 | C17 | C20 | H29 | 178.3° | 179.9° |
| C32 | N18 | C34 | C36 | 2.2° | 0.2° |
| C32 | N18 | C34 | C33 | 176.5° | 179.8° |
| C32 | N18 | C33 | H41 | 180.0° | 85.1° |
| C32 | N18 | C33 | H42 | 60.0° | 34.9° |
| C32 | N18 | C33 | H43 | 60.0° | 154.8° |
| C32 | N18 | C34 | H44 | 177.8° | 179.7° |
| N18 | C32 | C35 | H45 | 177.8° | 179.9° |
| C36 | C34 | N18 | H44 | 180.0° | 180.0° |
| C36 | C34 | N18 | C33 | 178.6° | 180.0° |
| C34 | C36 | N17 | H23 | 175.4° | 0.4° |
| C34 | C36 | C35 | H45 | 179.1° | 179.8° |
| C31 | C30 | N16 | C28 | 179.1° | 180.0° |
| C31 | C30 | N16 | C27 | 1.5° | 0.0° |
| C30 | C31 | N17 | H23 | 2.0° | 0.0° |
| C30 | N16 | C28 | C27 | 179.4° | 180.0° |
| N16 | C30 | C31 | O6 | 32.5° | 0.0° |
| C30 | N16 | C27 | H37 | 180.0° | 90.0° |
| C30 | N16 | C27 | H38 | 60.0° | 30.0° |
| C30 | N16 | C27 | H39 | 60.0° | 150.0° |
| C30 | N16 | C28 | H40 | 179.0° | 179.9° |
| C28 | N16 | C27 | H37 | 0.7° | 90.0° |
| C28 | N16 | C27 | H38 | 120.7° | 150.0° |
| C28 | N16 | C27 | H39 | 119.3° | 30.0° |
| C19 | N9 | C18 | H24 | 1.5° | 85.0° |
| C19 | N9 | C18 | H25 | 121.5° | 34.9° |
| C19 | N9 | C18 | H26 | 118.5° | 155.0° |
| O6 | C31 | N17 | H23 | 179.8° | 180.0° |
| N9 | C18 | H24 | H25 | 120.0° | 119.9° |
| N9 | C18 | H24 | H26 | 120.0° | 120.0° |
| N9 | C18 | H25 | H26 | 120.0° | 120.1° |
| C18 | N9 | C19 | H27 | 0.6° | 0.1° |
| N16 | C27 | H37 | H38 | 120.0° | 120.0° |
| N16 | C27 | H37 | H39 | 120.0° | 120.0° |
| N16 | C27 | H38 | H39 | 120.0° | 120.0° |
| C27 | N16 | C28 | H40 | 1.6° | 0.0° |
| C34 | N18 | C33 | H41 | 4.0° | 95.1° |
| C34 | N18 | C33 | H42 | 124.1° | 144.8° |
| C34 | N18 | C33 | H43 | 116.0° | 24.9° |
| N18 | C33 | H41 | H42 | 120.0° | 120.0° |
| N18 | C33 | H41 | H43 | 120.0° | 120.0° |
| N18 | C33 | H42 | H43 | 120.0° | 120.0° |
| C33 | N18 | C34 | H44 | 1.4° | 0.0° |
| H1 | C1 | H2 | H3 | 119.9° | 120.0° |
| H4 | C2 | C3 | H5 | 0.8° | 0.0° |
| H8 | C7 | H9 | H10 | 120.0° | 120.0° |
| H13 | N10 | C23 | H31 | 170.6° | 120.0° |
| H13 | N10 | C23 | H32 | 53.1° | 120.0° |
| H14 | N11 | C25 | H36 | 57.2° | 56.0° |
| H15 | N11 | C25 | H36 | 62.9° | 179.9° |
| H17 | C12 | H18 | H19 | 120.0° | 120.1° |
| H24 | C18 | H25 | H26 | 120.0° | 120.0° |
| H31 | C23 | C24 | H34 | 94.4° | 179.9° |
| H31 | C23 | C24 | H35 | 152.1° | 60.0° |
| H32 | C23 | C24 | H34 | 23.1° | 60.0° |
| H32 | C23 | C24 | H35 | 90.4° | 180.0° |
| H33 | N23 | C50 | H56 | 153.9° | 120.0° |
| H33 | N23 | C50 | H57 | 33.1° | 120.0° |
| H34 | C24 | C25 | H36 | 89.0° | 175.0° |
| H35 | C24 | C25 | H36 | 24.5° | 65.0° |
| H37 | C27 | H38 | H39 | 120.0° | 120.1° |
| H41 | C33 | H42 | H43 | 120.0° | 120.0° |
| H47 | C40 | H48 | H49 | 120.0° | 120.0° |
| H51 | C45 | H52 | H53 | 120.0° | 120.1° |
| H56 | C50 | C51 | H58 | 93.2° | 179.9° |
| H56 | C50 | C51 | H59 | 147.3° | 60.0° |
| H57 | C50 | C51 | H58 | 27.6° | 60.0° |
| H57 | C50 | C51 | H59 | 91.9° | 180.0° |
| H58 | C51 | C52 | H60 | 70.7° | 180.0° |
| H58 | C51 | C52 | H61 | 169.6° | 60.0° |
| H59 | C51 | C52 | H60 | 48.7° | 60.0° |
| H59 | C51 | C52 | H61 | 71.0° | 180.0° |
| H62 | C53 | C54 | H64 | 97.0° | 60.0° |
| H62 | C53 | C54 | H65 | 22.5° | 180.0° |
| H63 | C53 | C54 | H64 | 143.5° | 180.0° |
| H63 | C53 | C54 | H65 | 97.0° | 60.0° |
| H64 | C54 | C55 | H66 | 85.1° | 180.0° |
| H64 | C54 | C55 | H67 | 155.1° | 59.9° |
| H65 | C54 | C55 | H66 | 34.4° | 59.9° |
| H65 | C54 | C55 | H67 | 85.4° | 180.0° |
| H66 | C55 | N25 | H76 | 113.4° | 120.0° |
| H67 | C55 | N25 | H76 | 126.7° | 120.0° |
| H69 | C60 | C61 | H70 | 0.1° | 0.0° |
| H70 | C61 | C62 | H71 | 0.6° | 0.0° |
| H72 | C64 | H73 | H74 | 120.0° | 120.0° |
