1P2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.25Å | |
| C5 | C | sing | 1.46Å | 1.45Å | |
| C | N | sing | 1.36Å | 1.36Å | |
| N | C25 | sing | 1.47Å | 1.47Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C3 | C1 | doub | 1.35Å | 1.36Å | Aromatic |
| C1 | N2 | sing | 1.42Å | 1.43Å | |
| C1 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
| C4 | N1 | sing | 1.47Å | 1.47Å | |
| C3 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| N1 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| O1 | C6 | doub | 1.22Å | 1.25Å | |
| C5 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | N2 | sing | 1.36Å | 1.37Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O2 | C12 | doub | 1.22Å | 1.24Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C10 | sing | 1.37Å | 1.35Å | Aromatic |
| N3 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | O3 | doub | 1.22Å | 1.24Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| C7 | N4 | sing | 1.42Å | 1.40Å | |
| N4 | C12 | sing | 1.36Å | 1.35Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C22 | O4 | doub | 1.21Å | 1.24Å | |
| C16 | N5 | sing | 1.37Å | 1.42Å | Aromatic |
| N5 | C14 | sing | 1.36Å | 1.37Å | Aromatic |
| N5 | C15 | sing | 1.46Å | 1.45Å | |
| C26 | O5 | doub | 1.22Å | 1.24Å | |
| C6 | C10 | sing | 1.46Å | 1.45Å | |
| C32 | O6 | doub | 1.22Å | 1.25Å | |
| C8 | C7 | doub | 1.36Å | 1.35Å | Aromatic |
| C11 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | C13 | sing | 1.42Å | 1.43Å | |
| N7 | C17 | sing | 1.37Å | 1.31Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C38 | O7 | doub | 1.22Å | 1.25Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | N8 | sing | 1.37Å | 1.33Å | Aromatic |
| C20 | N8 | sing | 1.36Å | 1.36Å | Aromatic |
| N8 | C21 | sing | 1.47Å | 1.48Å | |
| O8 | C43 | doub | 1.22Å | 1.22Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| N9 | C19 | sing | 1.33Å | 1.37Å | Aromatic |
| N9 | C18 | doub | 1.31Å | 1.36Å | Aromatic |
| O9 | C48 | doub | 1.21Å | 1.22Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | N10 | sing | 1.35Å | 1.37Å | |
| N10 | C19 | sing | 1.40Å | 1.42Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C24 | N11 | sing | 1.47Å | 1.49Å | |
| N11 | HN11 | sing | 1.01Å | 1.00Å | |
| N11 | HN1A | sing | 1.01Å | 1.00Å | |
| C12 | C16 | sing | 1.46Å | 1.48Å | |
| C51 | N12 | sing | 1.48Å | 1.45Å | |
| N12 | C26 | sing | 1.37Å | 1.35Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C60 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C31 | N13 | sing | 1.38Å | 1.38Å | Aromatic |
| N13 | C29 | sing | 1.36Å | 1.36Å | Aromatic |
| N13 | C30 | sing | 1.47Å | 1.48Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N14 | C27 | sing | 1.42Å | 1.39Å | |
| N14 | C32 | sing | 1.35Å | 1.33Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C37 | N15 | sing | 1.38Å | 1.37Å | Aromatic |
| C35 | N15 | sing | 1.36Å | 1.36Å | Aromatic |
| N15 | C36 | sing | 1.47Å | 1.47Å | |
| C60 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C38 | N16 | sing | 1.36Å | 1.34Å | |
| N16 | C34 | sing | 1.42Å | 1.40Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| C18 | C17 | sing | 1.48Å | 1.50Å | |
| C41 | N17 | sing | 1.47Å | 1.44Å | |
| C40 | N17 | sing | 1.36Å | 1.39Å | Aromatic |
| N17 | C42 | sing | 1.37Å | 1.36Å | Aromatic |
| C19 | C20 | doub | 1.37Å | 1.34Å | Aromatic |
| C43 | N19 | sing | 1.36Å | 1.34Å | |
| C39 | N19 | sing | 1.41Å | 1.41Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C47 | N20 | sing | 1.46Å | 1.46Å | |
| N20 | C46 | sing | 1.36Å | 1.38Å | Aromatic |
| N20 | C44 | sing | 1.37Å | 1.34Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C44 | N21 | doub | 1.32Å | 1.35Å | Aromatic |
| C45 | N21 | sing | 1.33Å | 1.36Å | Aromatic |
| C49 | C22 | sing | 1.51Å | 1.51Å | |
| C45 | N22 | sing | 1.40Å | 1.40Å | |
| N22 | C48 | sing | 1.35Å | 1.37Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C48 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.56Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| N23 | C50 | sing | 1.47Å | 1.50Å | |
| N23 | HN23 | sing | 1.01Å | 1.00Å | |
| N23 | HN2A | sing | 1.01Å | 1.00Å | |
| C24 | C25 | sing | 1.53Å | 1.51Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C26 | C31 | sing | 1.46Å | 1.48Å | |
| C28 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C29 | doub | 1.35Å | 1.40Å | Aromatic |
| C28 | C31 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C37 | C32 | sing | 1.46Å | 1.48Å | |
| C34 | C33 | sing | 1.40Å | 1.42Å | Aromatic |
| C33 | C37 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | C35 | doub | 1.35Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C36 | H36B | sing | 1.09Å | 1.10Å | |
| C42 | C38 | sing | 1.46Å | 1.47Å | |
| C40 | C39 | doub | 1.36Å | 1.37Å | Aromatic |
| C39 | C61 | sing | 1.40Å | 1.42Å | Aromatic |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H41A | sing | 1.09Å | 1.10Å | |
| C41 | H41B | sing | 1.09Å | 1.10Å | |
| C42 | C61 | doub | 1.38Å | 1.38Å | Aromatic |
| C43 | C44 | sing | 1.47Å | 1.49Å | |
| C46 | C45 | doub | 1.37Å | 1.36Å | Aromatic |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| C47 | H47 | sing | 1.09Å | 1.10Å | |
| C47 | H47A | sing | 1.09Å | 1.10Å | |
| C47 | H47B | sing | 1.09Å | 1.10Å | |
| C50 | C49 | sing | 1.53Å | 1.52Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C49 | H49A | sing | 1.09Å | 1.10Å | |
| C51 | C50 | sing | 1.53Å | 1.50Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å | |
| C60 | H60 | sing | 1.08Å | 1.08Å | |
| C61 | H61 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C5 | 124.3° | 119.2° |
| O | C | N | 120.3° | 119.2° |
| C5 | C | N | 115.3° | 121.6° |
| C | C5 | N1 | 121.8° | 126.9° |
| C | C5 | C2 | 131.3° | 125.6° |
| C | N | C25 | 120.5° | 115.9° |
| C | N | HN | 119.7° | 122.0° |
| C25 | N | HN | 119.8° | 122.1° |
| N | C25 | C24 | 113.8° | 111.0° |
| N | C25 | H25 | 108.0° | 109.2° |
| N | C25 | H25A | 108.0° | 109.2° |
| C3 | C1 | N2 | 127.9° | 126.7° |
| C3 | C1 | C2 | 108.2° | 108.1° |
| C1 | C3 | N1 | 108.2° | 108.8° |
| C1 | C3 | H3 | 125.9° | 125.6° |
| N2 | C1 | C2 | 124.0° | 125.1° |
| C1 | N2 | C6 | 124.4° | 114.8° |
| C1 | N2 | HN2 | 117.8° | 122.6° |
| C1 | C2 | C5 | 108.3° | 106.9° |
| C1 | C2 | H2 | 125.8° | 126.5° |
| C4 | N1 | C3 | 121.6° | 125.7° |
| C4 | N1 | C5 | 129.8° | 125.7° |
| N1 | C4 | H4 | 109.5° | 109.5° |
| N1 | C4 | H4A | 109.5° | 109.4° |
| N1 | C4 | H4B | 109.5° | 109.4° |
| C3 | N1 | C5 | 108.6° | 108.6° |
| N1 | C3 | H3 | 125.9° | 125.6° |
| N1 | C5 | C2 | 106.7° | 107.5° |
| O1 | C6 | N2 | 120.4° | 119.6° |
| O1 | C6 | C10 | 122.6° | 119.7° |
| C5 | C2 | H2 | 125.8° | 126.6° |
| C6 | N2 | HN2 | 117.8° | 122.7° |
| N2 | C6 | C10 | 116.9° | 120.7° |
| O2 | C12 | N4 | 122.4° | 119.6° |
| O2 | C12 | C16 | 120.4° | 119.6° |
| C9 | N3 | C10 | 127.6° | 125.6° |
| C9 | N3 | C8 | 123.1° | 125.7° |
| N3 | C9 | H9 | 109.5° | 109.5° |
| N3 | C9 | H9A | 109.5° | 109.5° |
| N3 | C9 | H9B | 109.5° | 109.5° |
| C10 | N3 | C8 | 109.3° | 108.7° |
| N3 | C10 | C6 | 120.8° | 127.3° |
| N3 | C10 | C11 | 108.0° | 107.7° |
| N3 | C8 | C7 | 107.9° | 108.8° |
| N3 | C8 | H8 | 126.1° | 125.6° |
| O3 | C17 | N7 | 124.0° | 121.2° |
| O3 | C17 | C18 | 117.9° | 121.2° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| C7 | N4 | C12 | 122.7° | 115.9° |
| C7 | N4 | HN4 | 118.7° | 122.0° |
| N4 | C7 | C8 | 126.0° | 127.1° |
| N4 | C7 | C11 | 125.7° | 125.0° |
| C12 | N4 | HN4 | 118.7° | 122.1° |
| N4 | C12 | C16 | 117.1° | 120.8° |
| O4 | C22 | N10 | 122.7° | 121.0° |
| O4 | C22 | C49 | 121.7° | 121.0° |
| C16 | N5 | C14 | 108.1° | 108.7° |
| C16 | N5 | C15 | 127.9° | 125.7° |
| N5 | C16 | C12 | 121.0° | 126.7° |
| N5 | C16 | C60 | 107.3° | 107.7° |
| C14 | N5 | C15 | 124.0° | 125.6° |
| N5 | C14 | C13 | 107.8° | 108.7° |
| N5 | C14 | H14 | 126.1° | 125.7° |
| N5 | C15 | H15 | 109.5° | 109.4° |
| N5 | C15 | H15A | 109.5° | 109.5° |
| N5 | C15 | H15B | 109.4° | 109.5° |
| O5 | C26 | N12 | 122.7° | 120.1° |
| O5 | C26 | C31 | 122.8° | 120.0° |
| C6 | C10 | C11 | 131.0° | 125.1° |
| O6 | C32 | N14 | 121.8° | 119.5° |
| O6 | C32 | C37 | 119.9° | 120.9° |
| C8 | C7 | C11 | 108.2° | 107.9° |
| C7 | C8 | H8 | 126.0° | 125.6° |
| C7 | C11 | C10 | 106.5° | 107.0° |
| C7 | C11 | H11 | 126.7° | 126.5° |
| C13 | N7 | C17 | 122.2° | 116.7° |
| C13 | N7 | HN7 | 118.9° | 121.7° |
| N7 | C13 | C60 | 126.0° | 126.4° |
| N7 | C13 | C14 | 124.4° | 125.8° |
| C17 | N7 | HN7 | 118.9° | 121.6° |
| N7 | C17 | C18 | 118.1° | 117.5° |
| O7 | C38 | N16 | 121.9° | 119.7° |
| O7 | C38 | C42 | 120.3° | 119.7° |
| C18 | N8 | C20 | 105.9° | 107.0° |
| C18 | N8 | C21 | 129.3° | 126.5° |
| N8 | C18 | N9 | 113.5° | 108.6° |
| N8 | C18 | C17 | 122.2° | 124.5° |
| C20 | N8 | C21 | 124.7° | 126.5° |
| N8 | C20 | C19 | 107.0° | 107.1° |
| N8 | C20 | H20 | 126.5° | 126.5° |
| N8 | C21 | H21 | 109.5° | 109.5° |
| N8 | C21 | H21A | 109.5° | 109.5° |
| N8 | C21 | H21B | 109.5° | 109.4° |
| O8 | C43 | N19 | 123.3° | 121.0° |
| O8 | C43 | C44 | 119.2° | 121.0° |
| H9 | C9 | H9A | 109.4° | 109.5° |
| H9 | C9 | H9B | 109.4° | 109.4° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| C19 | N9 | C18 | 101.7° | 109.4° |
| N9 | C19 | N10 | 116.8° | 127.8° |
| N9 | C19 | C20 | 111.6° | 107.9° |
| N9 | C18 | C17 | 124.0° | 126.9° |
| O9 | C48 | N22 | 122.2° | 121.4° |
| O9 | C48 | C23 | 122.1° | 121.3° |
| C10 | C11 | H11 | 126.7° | 126.6° |
| C22 | N10 | C19 | 120.4° | 122.3° |
| C22 | N10 | HN10 | 119.8° | 118.9° |
| N10 | C22 | C49 | 115.5° | 118.0° |
| C19 | N10 | HN10 | 119.8° | 118.8° |
| N10 | C19 | C20 | 131.3° | 124.2° |
| C24 | N11 | HN11 | 109.5° | 111.0° |
| C24 | N11 | HN1A | 109.4° | 111.0° |
| N11 | C24 | C23 | 107.4° | 109.8° |
| N11 | C24 | C25 | 108.9° | 109.8° |
| N11 | C24 | H24 | 113.0° | 109.8° |
| HN11 | N11 | HN1A | 109.4° | 111.0° |
| C12 | C16 | C60 | 131.5° | 125.6° |
| C51 | N12 | C26 | 119.5° | 114.6° |
| C51 | N12 | HN12 | 120.3° | 122.7° |
| N12 | C51 | C50 | 115.4° | 109.6° |
| N12 | C51 | H51 | 107.5° | 109.4° |
| N12 | C51 | H51A | 107.5° | 109.4° |
| C26 | N12 | HN12 | 120.2° | 122.7° |
| N12 | C26 | C31 | 114.4° | 119.9° |
| C60 | C13 | C14 | 109.4° | 107.8° |
| C13 | C60 | C16 | 107.2° | 107.1° |
| C13 | C60 | H60 | 126.4° | 126.5° |
| C13 | C14 | H14 | 126.1° | 125.7° |
| C31 | N13 | C29 | 109.9° | 108.6° |
| C31 | N13 | C30 | 129.4° | 125.7° |
| N13 | C31 | C26 | 122.4° | 126.7° |
| N13 | C31 | C28 | 107.9° | 107.6° |
| C29 | N13 | C30 | 120.8° | 125.7° |
| N13 | C29 | C27 | 107.5° | 108.7° |
| N13 | C29 | H29 | 126.3° | 125.6° |
| N13 | C30 | H30 | 109.5° | 109.5° |
| N13 | C30 | H30A | 109.4° | 109.4° |
| N13 | C30 | H30B | 109.5° | 109.5° |
| C27 | N14 | C32 | 123.4° | 114.7° |
| C27 | N14 | HN14 | 118.3° | 122.1° |
| N14 | C27 | C28 | 124.1° | 125.0° |
| N14 | C27 | C29 | 128.9° | 127.0° |
| C32 | N14 | HN14 | 118.3° | 123.1° |
| N14 | C32 | C37 | 118.3° | 119.6° |
| H15 | C15 | H15A | 109.4° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.5° |
| C37 | N15 | C35 | 108.8° | 108.6° |
| C37 | N15 | C36 | 128.0° | 125.7° |
| N15 | C37 | C32 | 122.1° | 127.3° |
| N15 | C37 | C33 | 108.8° | 107.6° |
| C35 | N15 | C36 | 123.1° | 125.7° |
| N15 | C35 | C34 | 108.8° | 108.8° |
| N15 | C35 | H35 | 125.6° | 125.6° |
| N15 | C36 | H36 | 109.5° | 109.5° |
| N15 | C36 | H36A | 109.4° | 109.5° |
| N15 | C36 | H36B | 109.5° | 109.4° |
| C16 | C60 | H60 | 126.4° | 126.4° |
| C38 | N16 | C34 | 121.9° | 115.3° |
| C38 | N16 | HN16 | 119.0° | 122.3° |
| N16 | C38 | C42 | 117.7° | 120.6° |
| C34 | N16 | HN16 | 119.0° | 122.3° |
| N16 | C34 | C33 | 125.2° | 124.9° |
| N16 | C34 | C35 | 127.2° | 127.1° |
| C41 | N17 | C40 | 121.4° | 125.6° |
| C41 | N17 | C42 | 129.8° | 125.6° |
| N17 | C41 | H41 | 109.5° | 109.5° |
| N17 | C41 | H41A | 109.4° | 109.5° |
| N17 | C41 | H41B | 109.5° | 109.5° |
| C40 | N17 | C42 | 108.8° | 108.8° |
| N17 | C40 | C39 | 107.7° | 108.7° |
| N17 | C40 | H40 | 126.1° | 125.7° |
| N17 | C42 | C38 | 120.4° | 126.8° |
| N17 | C42 | C61 | 108.8° | 107.6° |
| C19 | C20 | H20 | 126.5° | 126.4° |
| C43 | N19 | C39 | 122.2° | 117.2° |
| C43 | N19 | HN19 | 118.9° | 121.4° |
| N19 | C43 | C44 | 117.5° | 118.0° |
| C39 | N19 | HN19 | 118.9° | 121.5° |
| N19 | C39 | C40 | 126.7° | 125.9° |
| N19 | C39 | C61 | 125.1° | 126.2° |
| C47 | N20 | C46 | 122.3° | 126.5° |
| C47 | N20 | C44 | 129.5° | 126.5° |
| N20 | C47 | H47 | 109.5° | 109.4° |
| N20 | C47 | H47A | 109.4° | 109.5° |
| N20 | C47 | H47B | 109.5° | 109.5° |
| C46 | N20 | C44 | 108.1° | 107.0° |
| N20 | C46 | C45 | 103.7° | 107.1° |
| N20 | C46 | H46 | 128.2° | 126.5° |
| N20 | C44 | N21 | 112.2° | 108.4° |
| N20 | C44 | C43 | 122.1° | 124.5° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| C44 | N21 | C45 | 102.8° | 109.5° |
| N21 | C44 | C43 | 125.7° | 127.1° |
| N21 | C45 | N22 | 117.6° | 128.1° |
| N21 | C45 | C46 | 113.3° | 108.0° |
| C22 | C49 | C50 | 110.9° | 111.0° |
| C22 | C49 | H49 | 109.0° | 109.1° |
| C22 | C49 | H49A | 109.0° | 109.2° |
| C45 | N22 | C48 | 122.4° | 121.5° |
| C45 | N22 | HN22 | 118.8° | 119.3° |
| N22 | C45 | C46 | 129.0° | 123.9° |
| C48 | N22 | HN22 | 118.8° | 119.2° |
| N22 | C48 | C23 | 115.6° | 117.3° |
| C48 | C23 | C24 | 110.4° | 111.6° |
| C48 | C23 | H23 | 109.2° | 109.0° |
| C48 | C23 | H23A | 109.2° | 109.0° |
| C24 | C23 | H23 | 109.2° | 109.0° |
| C24 | C23 | H23A | 109.1° | 109.1° |
| C23 | C24 | C25 | 114.4° | 107.9° |
| C23 | C24 | H24 | 107.5° | 109.8° |
| H23 | C23 | H23A | 109.8° | 109.0° |
| C50 | N23 | HN23 | 109.5° | 111.0° |
| C50 | N23 | HN2A | 109.5° | 111.0° |
| N23 | C50 | C49 | 109.1° | 109.6° |
| N23 | C50 | C51 | 110.8° | 109.6° |
| N23 | C50 | H50 | 110.6° | 109.5° |
| HN23 | N23 | HN2A | 109.4° | 110.9° |
| C25 | C24 | H24 | 105.8° | 109.8° |
| C24 | C25 | H25 | 108.1° | 109.2° |
| C24 | C25 | H25A | 108.1° | 109.2° |
| H25 | C25 | H25A | 110.9° | 109.1° |
| C26 | C31 | C28 | 129.4° | 125.7° |
| C28 | C27 | C29 | 106.9° | 108.0° |
| C27 | C28 | C31 | 107.8° | 107.1° |
| C27 | C28 | H28 | 126.1° | 126.5° |
| C27 | C29 | H29 | 126.3° | 125.6° |
| C31 | C28 | H28 | 126.1° | 126.5° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.4° |
| C32 | C37 | C33 | 128.8° | 125.1° |
| C34 | C33 | C37 | 105.9° | 106.9° |
| C34 | C33 | H33 | 127.1° | 126.5° |
| C33 | C34 | C35 | 107.3° | 108.0° |
| C37 | C33 | H33 | 127.1° | 126.6° |
| C34 | C35 | H35 | 125.5° | 125.6° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H36 | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| C38 | C42 | C61 | 130.7° | 125.6° |
| C40 | C39 | C61 | 108.2° | 107.8° |
| C39 | C40 | H40 | 126.2° | 125.6° |
| C39 | C61 | C42 | 106.4° | 107.1° |
| C39 | C61 | H61 | 126.8° | 126.5° |
| H41 | C41 | H41A | 109.4° | 109.4° |
| H41 | C41 | H41B | 109.5° | 109.5° |
| H41A | C41 | H41B | 109.5° | 109.5° |
| C42 | C61 | H61 | 126.8° | 126.5° |
| C45 | C46 | H46 | 128.2° | 126.4° |
| H47 | C47 | H47A | 109.4° | 109.5° |
| H47 | C47 | H47B | 109.5° | 109.5° |
| H47A | C47 | H47B | 109.5° | 109.4° |
| C50 | C49 | H49 | 109.0° | 109.1° |
| C50 | C49 | H49A | 109.0° | 109.1° |
| C49 | C50 | C51 | 114.3° | 109.0° |
| C49 | C50 | H50 | 106.8° | 109.6° |
| H49 | C49 | H49A | 110.0° | 109.2° |
| C51 | C50 | H50 | 105.1° | 109.6° |
| C50 | C51 | H51 | 107.5° | 109.5° |
| C50 | C51 | H51A | 107.6° | 109.5° |
| H51 | C51 | H51A | 111.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C5 | N | 177.7° | 179.7° |
| O | C | N | C25 | 1.7° | 26.8° |
| O | C | N | HN | 178.3° | 153.2° |
| O | C | C5 | N1 | 3.0° | 160.7° |
| O | C | C5 | C2 | 176.4° | 19.1° |
| C5 | C | N | C25 | 179.5° | 153.5° |
| C5 | C | N | HN | 0.5° | 26.5° |
| C | C5 | C2 | C1 | 174.2° | 178.6° |
| C | C5 | N1 | C4 | 3.6° | 2.0° |
| C | C5 | N1 | C3 | 175.9° | 177.9° |
| C | C5 | N1 | C2 | 174.8° | 179.8° |
| C | C5 | C2 | H2 | 5.7° | 1.5° |
| C | N | C25 | HN | 180.0° | 180.0° |
| N | C | C5 | N1 | 174.7° | 19.6° |
| N | C | C5 | C2 | 1.3° | 160.6° |
| C | N | C25 | C24 | 67.1° | 110.4° |
| C | N | C25 | H25 | 172.9° | 10.0° |
| C | N | C25 | H25A | 52.9° | 129.2° |
| N | C25 | C24 | N11 | 163.5° | 43.1° |
| N | C25 | C24 | C23 | 43.4° | 162.7° |
| N | C25 | C24 | H25 | 120.0° | 120.4° |
| N | C25 | C24 | H25A | 120.0° | 120.3° |
| N | C25 | C24 | H24 | 74.7° | 77.7° |
| N | C25 | H25 | H25A | 118.2° | 119.2° |
| HN | N | C25 | C24 | 112.9° | 69.6° |
| HN | N | C25 | H25 | 7.1° | 170.0° |
| HN | N | C25 | H25A | 127.1° | 50.8° |
| C3 | C1 | N2 | C2 | 179.1° | 179.5° |
| C1 | C3 | N1 | C4 | 177.9° | 178.2° |
| C1 | C3 | N1 | H3 | 180.0° | 179.9° |
| C1 | C3 | N1 | C5 | 1.7° | 1.8° |
| C3 | C1 | C2 | C5 | 0.9° | 0.1° |
| C3 | C1 | C2 | H2 | 179.1° | 179.8° |
| C3 | C1 | N2 | C6 | 1.8° | 159.6° |
| C3 | C1 | N2 | HN2 | 178.2° | 20.3° |
| N2 | C1 | C3 | N1 | 179.2° | 178.5° |
| C1 | N2 | C6 | O1 | 2.9° | 3.2° |
| N2 | C1 | C2 | C5 | 179.8° | 179.7° |
| N2 | C1 | C2 | H2 | 0.2° | 0.2° |
| C1 | N2 | C6 | HN2 | 180.0° | 180.0° |
| N2 | C1 | C3 | H3 | 0.9° | 1.6° |
| C1 | N2 | C6 | C10 | 176.5° | 176.9° |
| C2 | C1 | C3 | N1 | 1.6° | 1.1° |
| C1 | C2 | C5 | N1 | 0.1° | 1.2° |
| C1 | C2 | C5 | H2 | 180.0° | 179.9° |
| C2 | C1 | N2 | C6 | 177.3° | 19.9° |
| C2 | C1 | N2 | HN2 | 2.7° | 160.2° |
| C2 | C1 | C3 | H3 | 178.4° | 178.9° |
| C4 | N1 | C3 | C5 | 179.6° | 180.0° |
| C4 | N1 | C5 | C2 | 178.5° | 178.1° |
| C4 | N1 | C3 | H3 | 2.1° | 1.9° |
| N1 | C4 | H4 | H4A | 120.0° | 120.0° |
| N1 | C4 | H4 | H4B | 120.0° | 120.0° |
| N1 | C4 | H4A | H4B | 120.0° | 119.9° |
| C3 | N1 | C5 | C2 | 1.1° | 1.9° |
| C3 | N1 | C4 | H4 | 180.0° | 98.1° |
| C3 | N1 | C4 | H4A | 60.0° | 21.9° |
| C3 | N1 | C4 | H4B | 60.0° | 141.9° |
| N1 | C5 | C2 | H2 | 179.9° | 178.7° |
| C5 | N1 | C3 | H3 | 178.3° | 178.1° |
| C5 | N1 | C4 | H4 | 0.5° | 81.9° |
| C5 | N1 | C4 | H4A | 120.5° | 158.1° |
| C5 | N1 | C4 | H4B | 119.5° | 38.2° |
| O1 | C6 | N2 | C10 | 179.3° | 180.0° |
| O1 | C6 | N2 | HN2 | 177.1° | 176.9° |
| O1 | C6 | C10 | N3 | 9.8° | 178.8° |
| O1 | C6 | C10 | C11 | 165.6° | 1.5° |
| N2 | C6 | C10 | N3 | 170.8° | 1.1° |
| N2 | C6 | C10 | C11 | 13.7° | 178.5° |
| HN2 | N2 | C6 | C10 | 3.6° | 3.1° |
| O2 | C12 | N4 | C7 | 0.6° | 0.5° |
| O2 | C12 | N4 | C16 | 178.0° | 179.9° |
| O2 | C12 | N4 | HN4 | 179.4° | 179.5° |
| O2 | C12 | C16 | N5 | 19.3° | 178.4° |
| O2 | C12 | C16 | C60 | 155.8° | 1.7° |
| C9 | N3 | C10 | C8 | 178.4° | 180.0° |
| C9 | N3 | C10 | C6 | 2.5° | 0.7° |
| C9 | N3 | C8 | C7 | 179.9° | 179.8° |
| C9 | N3 | C8 | H8 | 0.0° | 0.2° |
| N3 | C9 | H9 | H9A | 120.0° | 120.0° |
| N3 | C9 | H9 | H9B | 120.0° | 120.0° |
| N3 | C9 | H9A | H9B | 120.0° | 120.0° |
| C9 | N3 | C10 | C11 | 178.9° | 179.7° |
| N3 | C10 | C6 | C11 | 175.4° | 179.6° |
| C10 | N3 | C8 | C7 | 1.5° | 0.1° |
| N3 | C10 | C11 | C7 | 2.9° | 0.3° |
| C10 | N3 | C8 | H8 | 178.5° | 179.8° |
| C10 | N3 | C9 | H9 | 180.0° | 82.8° |
| C10 | N3 | C9 | H9A | 60.0° | 157.2° |
| C10 | N3 | C9 | H9B | 60.0° | 37.2° |
| N3 | C10 | C11 | H11 | 177.1° | 179.7° |
| N3 | C8 | C7 | N4 | 177.5° | 179.9° |
| C8 | N3 | C10 | C6 | 179.1° | 179.4° |
| N3 | C8 | C7 | H8 | 180.0° | 179.9° |
| N3 | C8 | C7 | C11 | 0.4° | 0.1° |
| C8 | N3 | C9 | H9 | 1.8° | 97.2° |
| C8 | N3 | C9 | H9A | 121.8° | 22.8° |
| C8 | N3 | C9 | H9B | 118.2° | 142.8° |
| C8 | N3 | C10 | C11 | 2.8° | 0.3° |
| O3 | C17 | N7 | C13 | 2.8° | 1.3° |
| O3 | C17 | N7 | C18 | 176.6° | 180.0° |
| O3 | C17 | N7 | HN7 | 177.2° | 178.6° |
| O3 | C17 | C18 | N8 | 10.4° | 176.8° |
| O3 | C17 | C18 | N9 | 164.4° | 3.8° |
| H4 | C4 | H4A | H4B | 119.9° | 120.1° |
| C7 | N4 | C12 | HN4 | 180.0° | 180.0° |
| N4 | C7 | C8 | C11 | 177.1° | 179.9° |
| N4 | C7 | C8 | H8 | 2.5° | 0.1° |
| N4 | C7 | C11 | C10 | 179.2° | 179.7° |
| N4 | C7 | C11 | H11 | 0.8° | 0.3° |
| C7 | N4 | C12 | C16 | 178.6° | 179.4° |
| N4 | C12 | C16 | N5 | 162.7° | 1.7° |
| C12 | N4 | C7 | C8 | 17.6° | 179.6° |
| C12 | N4 | C7 | C11 | 165.7° | 0.5° |
| N4 | C12 | C16 | C60 | 22.2° | 178.2° |
| HN4 | N4 | C7 | C8 | 162.4° | 0.4° |
| HN4 | N4 | C7 | C11 | 14.3° | 179.5° |
| HN4 | N4 | C12 | C16 | 1.4° | 0.6° |
| O4 | C22 | N10 | C49 | 179.1° | 179.9° |
| O4 | C22 | N10 | C19 | 7.1° | 2.9° |
| O4 | C22 | N10 | HN10 | 172.9° | 177.1° |
| O4 | C22 | C49 | C50 | 48.2° | 2.7° |
| O4 | C22 | C49 | H49 | 71.8° | 123.0° |
| O4 | C22 | C49 | H49A | 168.2° | 117.7° |
| C16 | N5 | C14 | C15 | 179.9° | 179.9° |
| N5 | C16 | C12 | C60 | 175.1° | 179.9° |
| N5 | C16 | C60 | C13 | 4.9° | 0.1° |
| C16 | N5 | C14 | C13 | 1.5° | 0.1° |
| C16 | N5 | C14 | H14 | 178.5° | 179.9° |
| C16 | N5 | C15 | H15 | 180.0° | 79.8° |
| C16 | N5 | C15 | H15A | 60.0° | 40.2° |
| C16 | N5 | C15 | H15B | 60.0° | 160.3° |
| N5 | C16 | C60 | H60 | 175.1° | 179.9° |
| N5 | C14 | C13 | N7 | 177.2° | 179.9° |
| C14 | N5 | C16 | C12 | 172.2° | 179.9° |
| N5 | C14 | C13 | C60 | 1.6° | 0.0° |
| N5 | C14 | C13 | H14 | 180.0° | 180.0° |
| C14 | N5 | C15 | H15 | 0.1° | 100.3° |
| C14 | N5 | C15 | H15A | 120.1° | 139.7° |
| C14 | N5 | C15 | H15B | 119.9° | 19.7° |
| C14 | N5 | C16 | C60 | 4.0° | 0.1° |
| C15 | N5 | C16 | C12 | 7.9° | 0.1° |
| C15 | N5 | C14 | C13 | 178.4° | 180.0° |
| C15 | N5 | C14 | H14 | 1.6° | 0.0° |
| N5 | C15 | H15 | H15A | 120.0° | 120.0° |
| N5 | C15 | H15 | H15B | 120.0° | 120.0° |
| N5 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | N5 | C16 | C60 | 175.9° | 180.0° |
| O5 | C26 | N12 | C51 | 1.2° | 31.4° |
| O5 | C26 | N12 | C31 | 177.5° | 180.0° |
| O5 | C26 | N12 | HN12 | 178.8° | 148.7° |
| O5 | C26 | C31 | N13 | 4.8° | 169.4° |
| O5 | C26 | C31 | C28 | 178.7° | 10.0° |
| C6 | C10 | C11 | C7 | 178.8° | 179.4° |
| C6 | C10 | C11 | H11 | 1.2° | 0.7° |
| O6 | C32 | N14 | C27 | 0.3° | 2.3° |
| O6 | C32 | N14 | C37 | 179.1° | 179.7° |
| O6 | C32 | N14 | HN14 | 179.7° | 173.8° |
| O6 | C32 | C37 | N15 | 7.2° | 172.2° |
| O6 | C32 | C37 | C33 | 166.8° | 7.9° |
| C8 | C7 | C11 | C10 | 2.0° | 0.3° |
| C8 | C7 | C11 | H11 | 177.9° | 179.7° |
| C11 | C7 | C8 | H8 | 179.6° | 180.0° |
| C7 | C11 | C10 | H11 | 180.0° | 180.0° |
| C13 | N7 | C17 | HN7 | 180.0° | 179.9° |
| N7 | C13 | C60 | C14 | 175.5° | 180.0° |
| N7 | C13 | C14 | H14 | 2.8° | 0.0° |
| N7 | C13 | C60 | C16 | 179.6° | 180.0° |
| C13 | N7 | C17 | C18 | 179.4° | 178.7° |
| N7 | C13 | C60 | H60 | 0.4° | 0.0° |
| N7 | C17 | C18 | N8 | 166.4° | 3.2° |
| N7 | C17 | C18 | N9 | 18.8° | 176.2° |
| C17 | N7 | C13 | C60 | 179.4° | 0.4° |
| C17 | N7 | C13 | C14 | 4.6° | 179.5° |
| HN7 | N7 | C13 | C60 | 0.6° | 179.5° |
| HN7 | N7 | C13 | C14 | 175.4° | 0.5° |
| HN7 | N7 | C17 | C18 | 0.6° | 1.4° |
| O7 | C38 | N16 | C42 | 179.4° | 180.0° |
| O7 | C38 | N16 | C34 | 2.4° | 1.0° |
| O7 | C38 | N16 | HN16 | 177.6° | 178.9° |
| O7 | C38 | C42 | N17 | 18.3° | 179.7° |
| O7 | C38 | C42 | C61 | 157.2° | 0.4° |
| C18 | N8 | C20 | C21 | 176.2° | 180.0° |
| N8 | C18 | N9 | C19 | 1.5° | 1.6° |
| N8 | C18 | N9 | C17 | 175.2° | 179.5° |
| C18 | N8 | C20 | C19 | 2.9° | 0.1° |
| C18 | N8 | C20 | H20 | 177.1° | 179.9° |
| C18 | N8 | C21 | H21 | 180.0° | 70.8° |
| C18 | N8 | C21 | H21A | 60.0° | 169.2° |
| C18 | N8 | C21 | H21B | 60.0° | 49.2° |
| N8 | C20 | C19 | N9 | 4.0° | 0.8° |
| C20 | N8 | C18 | N9 | 0.8° | 1.1° |
| N8 | C20 | C19 | N10 | 177.6° | 178.7° |
| C20 | N8 | C18 | C17 | 174.5° | 178.5° |
| N8 | C20 | C19 | H20 | 180.0° | 180.0° |
| C20 | N8 | C21 | H21 | 4.7° | 109.2° |
| C20 | N8 | C21 | H21A | 115.3° | 10.8° |
| C20 | N8 | C21 | H21B | 124.7° | 130.8° |
| C21 | N8 | C18 | N9 | 176.8° | 179.0° |
| C21 | N8 | C18 | C17 | 1.5° | 1.5° |
| C21 | N8 | C20 | C19 | 179.1° | 179.9° |
| C21 | N8 | C20 | H20 | 0.9° | 0.1° |
| N8 | C21 | H21 | H21A | 120.0° | 120.0° |
| N8 | C21 | H21 | H21B | 120.0° | 119.9° |
| N8 | C21 | H21A | H21B | 120.0° | 120.0° |
| O8 | C43 | N19 | C44 | 179.2° | 179.9° |
| O8 | C43 | N19 | C39 | 2.2° | 0.8° |
| O8 | C43 | N19 | HN19 | 177.8° | 179.1° |
| O8 | C43 | C44 | N20 | 13.0° | 179.9° |
| O8 | C43 | C44 | N21 | 163.3° | 0.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| N9 | C19 | N10 | C22 | 165.1° | 21.6° |
| N9 | C19 | N10 | C20 | 173.3° | 179.4° |
| N9 | C19 | N10 | HN10 | 14.9° | 158.3° |
| C19 | N9 | C18 | C17 | 176.7° | 178.0° |
| N9 | C19 | C20 | H20 | 175.9° | 179.2° |
| C18 | N9 | C19 | N10 | 178.0° | 178.0° |
| C18 | N9 | C19 | C20 | 3.4° | 1.5° |
| O9 | C48 | N22 | C45 | 5.9° | 15.5° |
| O9 | C48 | N22 | C23 | 178.7° | 180.0° |
| O9 | C48 | N22 | HN22 | 174.1° | 164.5° |
| O9 | C48 | C23 | C24 | 50.3° | 18.5° |
| O9 | C48 | C23 | H23 | 69.7° | 102.0° |
| O9 | C48 | C23 | H23A | 170.3° | 139.0° |
| C22 | N10 | C19 | HN10 | 180.0° | 179.9° |
| C22 | N10 | C19 | C20 | 8.2° | 159.0° |
| N10 | C22 | C49 | C50 | 130.9° | 177.4° |
| N10 | C22 | C49 | H49 | 109.1° | 57.1° |
| N10 | C22 | C49 | H49A | 10.9° | 62.2° |
| N10 | C19 | C20 | H20 | 2.4° | 1.3° |
| C19 | N10 | C22 | C49 | 172.1° | 177.0° |
| HN10 | N10 | C19 | C20 | 171.8° | 21.0° |
| HN10 | N10 | C22 | C49 | 7.9° | 3.0° |
| C24 | N11 | HN11 | HN1A | 120.0° | 124.0° |
| N11 | C24 | C23 | C48 | 148.1° | 77.8° |
| N11 | C24 | C23 | C25 | 121.0° | 119.6° |
| N11 | C24 | C23 | H24 | 121.9° | 120.8° |
| N11 | C24 | C23 | H23 | 28.1° | 161.7° |
| N11 | C24 | C23 | H23A | 91.9° | 42.7° |
| N11 | C24 | C25 | H24 | 121.8° | 120.8° |
| N11 | C24 | C25 | H25 | 43.5° | 163.6° |
| N11 | C24 | C25 | H25A | 76.5° | 77.2° |
| HN11 | N11 | C24 | C23 | 180.0° | 60.0° |
| HN11 | N11 | C24 | C25 | 55.6° | 178.4° |
| HN11 | N11 | C24 | H24 | 61.7° | 60.8° |
| HN1A | N11 | C24 | C23 | 60.0° | 64.0° |
| HN1A | N11 | C24 | C25 | 175.6° | 54.4° |
| HN1A | N11 | C24 | H24 | 58.3° | 175.2° |
| C12 | C16 | C60 | C13 | 170.7° | 179.9° |
| C12 | C16 | C60 | H60 | 9.3° | 0.1° |
| C51 | N12 | C26 | HN12 | 180.0° | 180.0° |
| N12 | C51 | C50 | N23 | 165.8° | 92.1° |
| C51 | N12 | C26 | C31 | 178.6° | 148.6° |
| N12 | C51 | C50 | C49 | 42.0° | 148.0° |
| N12 | C51 | C50 | H51 | 120.0° | 120.1° |
| N12 | C51 | C50 | H51A | 120.0° | 120.0° |
| N12 | C51 | C50 | H50 | 74.7° | 28.1° |
| N12 | C51 | H51 | H51A | 117.5° | 119.9° |
| N12 | C26 | C31 | N13 | 172.6° | 10.6° |
| N12 | C26 | C31 | C28 | 1.2° | 170.0° |
| C26 | N12 | C51 | C50 | 71.7° | 101.3° |
| C26 | N12 | C51 | H51 | 168.3° | 138.6° |
| C26 | N12 | C51 | H51A | 48.4° | 18.8° |
| HN12 | N12 | C26 | C31 | 1.3° | 31.4° |
| HN12 | N12 | C51 | C50 | 108.3° | 78.7° |
| HN12 | N12 | C51 | H51 | 11.7° | 41.4° |
| HN12 | N12 | C51 | H51A | 131.6° | 161.2° |
| C60 | C13 | C14 | H14 | 178.4° | 180.0° |
| C13 | C60 | C16 | H60 | 180.0° | 180.0° |
| C14 | C13 | C60 | C16 | 4.1° | 0.0° |
| C14 | C13 | C60 | H60 | 175.9° | 180.0° |
| C31 | N13 | C29 | C30 | 178.8° | 179.9° |
| N13 | C31 | C26 | C28 | 173.8° | 179.4° |
| N13 | C31 | C28 | C27 | 1.6° | 1.0° |
| C31 | N13 | C29 | C27 | 0.5° | 1.8° |
| N13 | C31 | C28 | H28 | 178.4° | 179.0° |
| C31 | N13 | C29 | H29 | 179.6° | 178.3° |
| C31 | N13 | C30 | H30 | 180.0° | 78.0° |
| C31 | N13 | C30 | H30A | 60.0° | 42.0° |
| C31 | N13 | C30 | H30B | 60.0° | 161.9° |
| N13 | C29 | C27 | N14 | 177.5° | 179.4° |
| C29 | N13 | C31 | C26 | 176.3° | 177.7° |
| N13 | C29 | C27 | C28 | 0.5° | 1.2° |
| N13 | C29 | C27 | H29 | 180.0° | 179.9° |
| C29 | N13 | C31 | C28 | 1.3° | 1.7° |
| C29 | N13 | C30 | H30 | 1.4° | 101.9° |
| C29 | N13 | C30 | H30A | 118.6° | 138.1° |
| C29 | N13 | C30 | H30B | 121.4° | 18.2° |
| C30 | N13 | C31 | C26 | 2.4° | 2.1° |
| C30 | N13 | C29 | C27 | 178.4° | 178.3° |
| C30 | N13 | C31 | C28 | 177.4° | 178.4° |
| C30 | N13 | C29 | H29 | 1.6° | 1.6° |
| N13 | C30 | H30 | H30A | 120.0° | 120.0° |
| N13 | C30 | H30 | H30B | 120.0° | 120.1° |
| N13 | C30 | H30A | H30B | 120.0° | 120.0° |
| C27 | N14 | C32 | HN14 | 180.0° | 176.2° |
| N14 | C27 | C28 | C29 | 177.2° | 179.5° |
| N14 | C27 | C28 | C31 | 178.5° | 179.6° |
| N14 | C27 | C28 | H28 | 1.5° | 0.4° |
| N14 | C27 | C29 | H29 | 2.5° | 0.6° |
| C27 | N14 | C32 | C37 | 178.8° | 177.4° |
| N14 | C32 | C37 | N15 | 173.6° | 8.1° |
| C32 | N14 | C27 | C28 | 179.4° | 3.9° |
| C32 | N14 | C27 | C29 | 2.9° | 176.7° |
| N14 | C32 | C37 | C33 | 12.4° | 171.8° |
| HN14 | N14 | C27 | C28 | 0.5° | 172.3° |
| HN14 | N14 | C27 | C29 | 177.0° | 7.0° |
| HN14 | N14 | C32 | C37 | 1.1° | 6.4° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| C37 | N15 | C35 | C36 | 177.1° | 179.9° |
| N15 | C37 | C32 | C33 | 174.0° | 179.9° |
| N15 | C37 | C33 | C34 | 5.6° | 0.2° |
| N15 | C37 | C33 | H33 | 174.4° | 179.8° |
| C37 | N15 | C35 | C34 | 0.3° | 0.1° |
| C37 | N15 | C35 | H35 | 179.7° | 179.9° |
| C37 | N15 | C36 | H36 | 180.0° | 78.9° |
| C37 | N15 | C36 | H36A | 60.0° | 41.1° |
| C37 | N15 | C36 | H36B | 60.0° | 161.1° |
| N15 | C35 | C34 | N16 | 176.6° | 179.7° |
| C35 | N15 | C37 | C32 | 178.8° | 179.9° |
| N15 | C35 | C34 | C33 | 3.3° | 0.2° |
| C35 | N15 | C37 | C33 | 3.8° | 0.0° |
| N15 | C35 | C34 | H35 | 180.0° | 179.9° |
| C35 | N15 | C36 | H36 | 3.6° | 101.0° |
| C35 | N15 | C36 | H36A | 123.6° | 139.0° |
| C35 | N15 | C36 | H36B | 116.5° | 19.0° |
| C36 | N15 | C37 | C32 | 4.3° | 0.2° |
| C36 | N15 | C37 | C33 | 179.4° | 179.9° |
| C36 | N15 | C35 | C34 | 177.3° | 180.0° |
| C36 | N15 | C35 | H35 | 2.7° | 0.0° |
| N15 | C36 | H36 | H36A | 120.0° | 120.0° |
| N15 | C36 | H36 | H36B | 120.0° | 119.9° |
| N15 | C36 | H36A | H36B | 120.0° | 119.9° |
| C38 | N16 | C34 | HN16 | 180.0° | 180.0° |
| N16 | C38 | C42 | N17 | 162.2° | 0.2° |
| C38 | N16 | C34 | C33 | 169.3° | 0.5° |
| C38 | N16 | C34 | C35 | 18.5° | 179.5° |
| N16 | C38 | C42 | C61 | 22.2° | 179.6° |
| N16 | C34 | C33 | C35 | 173.5° | 180.0° |
| N16 | C34 | C33 | C37 | 178.9° | 179.7° |
| N16 | C34 | C33 | H33 | 1.1° | 0.3° |
| N16 | C34 | C35 | H35 | 3.4° | 0.2° |
| C34 | N16 | C38 | C42 | 177.1° | 179.0° |
| HN16 | N16 | C34 | C33 | 10.7° | 179.5° |
| HN16 | N16 | C34 | C35 | 161.5° | 0.6° |
| HN16 | N16 | C38 | C42 | 2.9° | 1.1° |
| C41 | N17 | C40 | C42 | 178.3° | 180.0° |
| C41 | N17 | C42 | C38 | 8.8° | 0.0° |
| C41 | N17 | C40 | C39 | 176.5° | 179.8° |
| C41 | N17 | C40 | H40 | 3.4° | 0.1° |
| N17 | C41 | H41 | H41A | 119.9° | 120.0° |
| N17 | C41 | H41 | H41B | 120.0° | 120.0° |
| N17 | C41 | H41A | H41B | 120.0° | 120.1° |
| C41 | N17 | C42 | C61 | 174.8° | 179.9° |
| N17 | C40 | C39 | N19 | 177.9° | 179.8° |
| C40 | N17 | C42 | C38 | 173.1° | 180.0° |
| N17 | C40 | C39 | H40 | 180.0° | 179.9° |
| N17 | C40 | C39 | C61 | 0.4° | 0.2° |
| C40 | N17 | C41 | H41 | 180.0° | 97.6° |
| C40 | N17 | C41 | H41A | 60.0° | 22.4° |
| C40 | N17 | C41 | H41B | 60.0° | 142.4° |
| C40 | N17 | C42 | C61 | 3.4° | 0.2° |
| N17 | C42 | C38 | C61 | 175.6° | 179.9° |
| C42 | N17 | C40 | C39 | 1.8° | 0.2° |
| N17 | C42 | C61 | C39 | 3.6° | 0.0° |
| C42 | N17 | C40 | H40 | 178.2° | 179.9° |
| C42 | N17 | C41 | H41 | 2.0° | 82.4° |
| C42 | N17 | C41 | H41A | 117.9° | 157.6° |
| C42 | N17 | C41 | H41B | 122.1° | 37.6° |
| N17 | C42 | C61 | H61 | 176.4° | 180.0° |
| C43 | N19 | C39 | HN19 | 180.0° | 179.9° |
| N19 | C43 | C44 | N20 | 166.3° | 0.0° |
| N19 | C43 | C44 | N21 | 17.5° | 179.8° |
| C43 | N19 | C39 | C40 | 0.4° | 179.3° |
| C43 | N19 | C39 | C61 | 176.6° | 0.7° |
| N19 | C39 | C40 | C61 | 177.4° | 180.0° |
| N19 | C39 | C40 | H40 | 2.1° | 0.1° |
| N19 | C39 | C61 | C42 | 179.9° | 179.9° |
| C39 | N19 | C43 | C44 | 178.6° | 179.0° |
| N19 | C39 | C61 | H61 | 0.0° | 0.1° |
| HN19 | N19 | C39 | C40 | 179.6° | 0.6° |
| HN19 | N19 | C39 | C61 | 3.4° | 179.4° |
| HN19 | N19 | C43 | C44 | 1.4° | 1.1° |
| C47 | N20 | C46 | C44 | 178.1° | 180.0° |
| C47 | N20 | C44 | N21 | 178.0° | 179.3° |
| C47 | N20 | C44 | C43 | 5.3° | 0.8° |
| C47 | N20 | C46 | C45 | 177.9° | 179.3° |
| C47 | N20 | C46 | H46 | 2.1° | 0.7° |
| N20 | C47 | H47 | H47A | 120.0° | 120.0° |
| N20 | C47 | H47 | H47B | 120.0° | 120.0° |
| N20 | C47 | H47A | H47B | 120.0° | 120.0° |
| C46 | N20 | C44 | N21 | 0.1° | 0.7° |
| N20 | C46 | C45 | N21 | 0.5° | 0.5° |
| N20 | C46 | C45 | N22 | 176.3° | 179.4° |
| C46 | N20 | C44 | C43 | 176.8° | 179.2° |
| N20 | C46 | C45 | H46 | 180.0° | 180.0° |
| C46 | N20 | C47 | H47 | 180.0° | 107.5° |
| C46 | N20 | C47 | H47A | 60.0° | 132.5° |
| C46 | N20 | C47 | H47B | 60.0° | 12.5° |
| N20 | C44 | N21 | C43 | 176.6° | 179.9° |
| N20 | C44 | N21 | C45 | 0.4° | 0.4° |
| C44 | N20 | C46 | C45 | 0.2° | 0.7° |
| C44 | N20 | C46 | H46 | 179.8° | 179.3° |
| C44 | N20 | C47 | H47 | 2.3° | 72.5° |
| C44 | N20 | C47 | H47A | 117.6° | 47.5° |
| C44 | N20 | C47 | H47B | 122.3° | 167.5° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| C44 | N21 | C45 | N22 | 176.9° | 179.8° |
| C44 | N21 | C45 | C46 | 0.6° | 0.1° |
| N21 | C45 | N22 | C46 | 175.6° | 179.9° |
| N21 | C45 | N22 | C48 | 167.7° | 1.7° |
| N21 | C45 | N22 | HN22 | 12.3° | 178.3° |
| C45 | N21 | C44 | C43 | 177.0° | 179.5° |
| N21 | C45 | C46 | H46 | 179.5° | 179.5° |
| C22 | C49 | C50 | N23 | 148.1° | 29.0° |
| C22 | C49 | C50 | H49 | 120.0° | 120.3° |
| C22 | C49 | C50 | H49A | 120.0° | 120.5° |
| C22 | C49 | H49 | H49A | 119.4° | 119.3° |
| C22 | C49 | C50 | C51 | 87.2° | 148.9° |
| C22 | C49 | C50 | H50 | 28.5° | 91.2° |
| C45 | N22 | C48 | HN22 | 180.0° | 180.0° |
| C45 | N22 | C48 | C23 | 172.7° | 164.5° |
| N22 | C45 | C46 | H46 | 3.7° | 0.6° |
| N22 | C48 | C23 | C24 | 128.3° | 161.6° |
| N22 | C48 | C23 | H23 | 111.6° | 77.9° |
| N22 | C48 | C23 | H23A | 8.3° | 41.0° |
| C48 | N22 | C45 | C46 | 8.0° | 178.2° |
| HN22 | N22 | C48 | C23 | 7.2° | 15.5° |
| HN22 | N22 | C45 | C46 | 172.1° | 1.8° |
| C48 | C23 | C24 | H23 | 120.0° | 120.5° |
| C48 | C23 | C24 | H23A | 120.0° | 120.5° |
| C48 | C23 | H23 | H23A | 119.6° | 118.9° |
| C48 | C23 | C24 | C25 | 90.8° | 162.6° |
| C48 | C23 | C24 | H24 | 26.3° | 43.0° |
| C24 | C23 | H23 | H23A | 119.6° | 119.1° |
| C23 | C24 | C25 | H24 | 118.1° | 119.6° |
| C23 | C24 | C25 | H25 | 76.6° | 76.9° |
| C23 | C24 | C25 | H25A | 163.3° | 42.4° |
| H23 | C23 | C24 | C25 | 149.1° | 42.1° |
| H23 | C23 | C24 | H24 | 93.8° | 77.5° |
| H23A | C23 | C24 | C25 | 29.2° | 76.9° |
| H23A | C23 | C24 | H24 | 146.3° | 163.5° |
| C50 | N23 | HN23 | HN2A | 120.0° | 124.0° |
| N23 | C50 | C49 | C51 | 124.6° | 119.9° |
| N23 | C50 | C49 | H50 | 119.6° | 120.2° |
| N23 | C50 | C49 | H49 | 28.1° | 91.3° |
| N23 | C50 | C49 | H49A | 91.9° | 149.4° |
| N23 | C50 | C51 | H50 | 119.5° | 120.2° |
| N23 | C50 | C51 | H51 | 45.8° | 147.9° |
| N23 | C50 | C51 | H51A | 74.2° | 28.0° |
| HN23 | N23 | C50 | C49 | 180.0° | 66.3° |
| HN23 | N23 | C50 | C51 | 53.3° | 53.3° |
| HN23 | N23 | C50 | H50 | 62.8° | 173.5° |
| HN2A | N23 | C50 | C49 | 60.0° | 169.8° |
| HN2A | N23 | C50 | C51 | 173.3° | 70.7° |
| HN2A | N23 | C50 | H50 | 57.2° | 49.6° |
| C24 | C25 | H25 | H25A | 118.3° | 119.3° |
| H24 | C24 | C25 | H25 | 165.3° | 42.7° |
| H24 | C24 | C25 | H25A | 45.3° | 162.0° |
| C26 | C31 | C28 | C27 | 176.2° | 178.5° |
| C26 | C31 | C28 | H28 | 3.9° | 1.5° |
| C27 | C28 | C31 | H28 | 180.0° | 180.0° |
| C28 | C27 | C29 | H29 | 179.4° | 178.9° |
| C29 | C27 | C28 | C31 | 1.3° | 0.1° |
| C29 | C27 | C28 | H28 | 178.7° | 179.9° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| C32 | C37 | C33 | C34 | 179.7° | 179.7° |
| C32 | C37 | C33 | H33 | 0.3° | 0.3° |
| C34 | C33 | C37 | H33 | 180.0° | 179.9° |
| C33 | C34 | C35 | H35 | 176.7° | 179.8° |
| C37 | C33 | C34 | C35 | 5.4° | 0.2° |
| H33 | C33 | C34 | C35 | 174.6° | 179.7° |
| H36 | C36 | H36A | H36B | 120.0° | 120.0° |
| C38 | C42 | C61 | C39 | 172.4° | 179.9° |
| C38 | C42 | C61 | H61 | 7.6° | 0.1° |
| C40 | C39 | C61 | C42 | 2.4° | 0.1° |
| C40 | C39 | C61 | H61 | 177.5° | 179.8° |
| C61 | C39 | C40 | H40 | 179.5° | 179.9° |
| C39 | C61 | C42 | H61 | 180.0° | 180.0° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
| H47 | C47 | H47A | H47B | 120.0° | 120.0° |
| C50 | C49 | H49 | H49A | 119.4° | 119.2° |
| C49 | C50 | C51 | H50 | 116.7° | 119.9° |
| C49 | C50 | C51 | H51 | 78.0° | 28.0° |
| C49 | C50 | C51 | H51A | 162.0° | 91.9° |
| H49 | C49 | C50 | C51 | 152.8° | 28.5° |
| H49 | C49 | C50 | H50 | 91.5° | 148.5° |
| H49A | C49 | C50 | C51 | 32.8° | 90.7° |
| H49A | C49 | C50 | H50 | 148.5° | 29.3° |
| C50 | C51 | H51 | H51A | 117.6° | 120.0° |
| H50 | C50 | C51 | H51 | 165.2° | 91.9° |
| H50 | C50 | C51 | H51A | 45.3° | 148.2° |
