1P1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | N | sing | 1.35Å | 1.30Å | |
| C | O | doub | 1.22Å | 1.26Å | |
| C | C5 | sing | 1.46Å | 1.49Å | |
| N | C25 | sing | 1.48Å | 1.44Å | |
| C1 | C2 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | N2 | sing | 1.42Å | 1.41Å | |
| C1 | C3 | doub | 1.36Å | 1.41Å | Aromatic |
| N1 | C3 | sing | 1.36Å | 1.32Å | Aromatic |
| N1 | C4 | sing | 1.47Å | 1.56Å | |
| N1 | C5 | sing | 1.37Å | 1.35Å | Aromatic |
| O1 | C6 | doub | 1.22Å | 1.24Å | |
| C2 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.32Å | |
| O2 | C12 | doub | 1.22Å | 1.22Å | |
| N3 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| N3 | C9 | sing | 1.47Å | 1.51Å | |
| N3 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| O3 | C17 | doub | 1.22Å | 1.22Å | |
| N4 | C7 | sing | 1.42Å | 1.42Å | |
| N4 | C12 | sing | 1.35Å | 1.33Å | |
| O4 | C22 | doub | 1.21Å | 1.22Å | |
| N5 | C14 | sing | 1.37Å | 1.35Å | Aromatic |
| N5 | C15 | sing | 1.47Å | 1.51Å | |
| N5 | C16 | sing | 1.36Å | 1.36Å | Aromatic |
| O5 | C26 | doub | 1.22Å | 1.21Å | |
| C6 | C10 | sing | 1.47Å | 1.46Å | |
| N6 | C13 | sing | 1.33Å | 1.36Å | Aromatic |
| N6 | C16 | doub | 1.33Å | 1.32Å | Aromatic |
| O6 | C32 | doub | 1.22Å | 1.24Å | |
| C7 | C8 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| N7 | C13 | sing | 1.41Å | 1.40Å | |
| N7 | C17 | sing | 1.36Å | 1.35Å | |
| O7 | C38 | doub | 1.22Å | 1.22Å | |
| N8 | C18 | sing | 1.36Å | 1.34Å | Aromatic |
| N8 | C20 | sing | 1.36Å | 1.34Å | Aromatic |
| N8 | C21 | sing | 1.47Å | 1.54Å | |
| O8 | C43 | doub | 1.22Å | 1.24Å | |
| N9 | C18 | doub | 1.33Å | 1.34Å | Aromatic |
| N9 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| O9 | C48 | doub | 1.21Å | 1.26Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| N10 | C19 | sing | 1.40Å | 1.39Å | |
| N10 | C22 | sing | 1.35Å | 1.40Å | |
| N11 | C23 | sing | 1.47Å | 1.50Å | |
| C12 | C16 | sing | 1.47Å | 1.49Å | |
| N12 | C26 | sing | 1.36Å | 1.32Å | |
| N12 | C51 | sing | 1.48Å | 1.43Å | |
| C13 | C14 | doub | 1.36Å | 1.35Å | Aromatic |
| N13 | C29 | sing | 1.36Å | 1.38Å | Aromatic |
| N13 | C30 | sing | 1.47Å | 1.48Å | |
| N13 | C31 | sing | 1.37Å | 1.37Å | Aromatic |
| N14 | C27 | sing | 1.42Å | 1.39Å | |
| N14 | C32 | sing | 1.35Å | 1.33Å | |
| N15 | C35 | sing | 1.36Å | 1.31Å | Aromatic |
| N15 | C36 | sing | 1.47Å | 1.46Å | |
| N15 | C37 | sing | 1.37Å | 1.37Å | Aromatic |
| N16 | C34 | sing | 1.42Å | 1.38Å | |
| N16 | C38 | sing | 1.35Å | 1.34Å | |
| C17 | C18 | sing | 1.48Å | 1.47Å | |
| N17 | C40 | sing | 1.37Å | 1.33Å | Aromatic |
| N17 | C41 | sing | 1.47Å | 1.49Å | |
| N17 | C42 | sing | 1.36Å | 1.35Å | Aromatic |
| N18 | C39 | sing | 1.33Å | 1.36Å | Aromatic |
| N18 | C42 | doub | 1.33Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.37Å | 1.39Å | Aromatic |
| N19 | C39 | sing | 1.41Å | 1.40Å | |
| N19 | C43 | sing | 1.36Å | 1.36Å | |
| N20 | C44 | sing | 1.36Å | 1.36Å | Aromatic |
| N20 | C46 | sing | 1.36Å | 1.34Å | Aromatic |
| N20 | C47 | sing | 1.47Å | 1.49Å | |
| N21 | C44 | doub | 1.33Å | 1.36Å | Aromatic |
| N21 | C45 | sing | 1.32Å | 1.37Å | Aromatic |
| C22 | C49 | sing | 1.51Å | 1.49Å | |
| N22 | C45 | sing | 1.40Å | 1.39Å | |
| N22 | C48 | sing | 1.35Å | 1.33Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | C48 | sing | 1.51Å | 1.51Å | |
| N23 | C49 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.52Å | 1.52Å | |
| C26 | C31 | sing | 1.46Å | 1.47Å | |
| C27 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C29 | doub | 1.36Å | 1.35Å | Aromatic |
| C28 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C32 | C37 | sing | 1.47Å | 1.44Å | |
| C33 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | C37 | doub | 1.39Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.36Å | 1.39Å | Aromatic |
| C38 | C42 | sing | 1.47Å | 1.47Å | |
| C39 | C40 | doub | 1.36Å | 1.34Å | Aromatic |
| C43 | C44 | sing | 1.47Å | 1.43Å | |
| C45 | C46 | doub | 1.37Å | 1.36Å | Aromatic |
| C49 | C50 | sing | 1.53Å | 1.55Å | |
| C50 | C51 | sing | 1.52Å | 1.50Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.98Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.98Å | 1.00Å | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C9 | H9B | sing | 1.09Å | 1.10Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N11 | HN11 | sing | 1.01Å | 1.00Å | |
| N11 | HN1A | sing | 1.01Å | 1.00Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| N14 | HN14 | sing | 0.98Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| N16 | HN16 | sing | 0.98Å | 1.00Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N23 | HN23 | sing | 1.01Å | 1.00Å | |
| N23 | HN2A | sing | 1.01Å | 1.00Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| 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 | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| 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 | |
| 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 | |
| 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 | |
| C49 | H49 | sing | 1.09Å | 1.10Å | |
| C50 | H50 | sing | 1.09Å | 1.10Å | |
| C50 | H50A | sing | 1.09Å | 1.10Å | |
| C51 | H51 | sing | 1.09Å | 1.10Å | |
| C51 | H51A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | O | 123.6° | 118.4° |
| N | C | C5 | 117.0° | 124.0° |
| C | N | C25 | 127.7° | 115.8° |
| C | N | HN | 116.2° | 123.2° |
| O | C | C5 | 119.3° | 117.6° |
| C | C5 | N1 | 125.8° | 129.5° |
| C | C5 | C2 | 126.7° | 123.4° |
| N | C25 | C24 | 112.3° | 110.6° |
| C25 | N | HN | 116.1° | 121.0° |
| N | C25 | H25 | 108.5° | 109.7° |
| N | C25 | H25A | 108.6° | 108.9° |
| C2 | C1 | N2 | 123.2° | 127.9° |
| C2 | C1 | C3 | 106.4° | 107.7° |
| C1 | C2 | C5 | 106.8° | 107.5° |
| C1 | C2 | H2 | 126.6° | 127.8° |
| N2 | C1 | C3 | 130.4° | 124.5° |
| C1 | N2 | C6 | 123.2° | 118.2° |
| C1 | N2 | HN2 | 118.4° | 119.5° |
| C1 | C3 | N1 | 107.8° | 108.7° |
| C1 | C3 | H3 | 126.1° | 125.6° |
| C3 | N1 | C4 | 123.2° | 123.9° |
| C3 | N1 | C5 | 111.7° | 108.9° |
| N1 | C3 | H3 | 126.1° | 125.7° |
| C4 | N1 | C5 | 125.2° | 127.1° |
| N1 | C4 | H4 | 109.5° | 109.5° |
| N1 | C4 | H4A | 109.5° | 109.5° |
| N1 | C4 | H4B | 109.5° | 109.5° |
| N1 | C5 | C2 | 107.3° | 107.1° |
| O1 | C6 | N2 | 124.7° | 119.8° |
| O1 | C6 | C10 | 117.2° | 117.3° |
| C5 | C2 | H2 | 126.6° | 124.7° |
| N2 | C6 | C10 | 118.1° | 122.9° |
| C6 | N2 | HN2 | 118.4° | 122.3° |
| O2 | C12 | N4 | 124.2° | 119.9° |
| O2 | C12 | C16 | 120.7° | 117.8° |
| C8 | N3 | C9 | 125.4° | 123.7° |
| C8 | N3 | C10 | 110.8° | 108.8° |
| N3 | C8 | C7 | 108.7° | 109.0° |
| N3 | C8 | H8 | 125.7° | 125.4° |
| C9 | N3 | C10 | 123.8° | 127.5° |
| N3 | C9 | H9 | 109.5° | 109.4° |
| N3 | C9 | H9A | 109.5° | 109.5° |
| N3 | C9 | H9B | 109.5° | 109.5° |
| N3 | C10 | C6 | 127.0° | 130.0° |
| N3 | C10 | C11 | 105.1° | 107.3° |
| O3 | C17 | N7 | 123.1° | 120.8° |
| O3 | C17 | C18 | 117.9° | 120.4° |
| C7 | N4 | C12 | 123.4° | 118.8° |
| N4 | C7 | C8 | 124.7° | 125.4° |
| N4 | C7 | C11 | 127.6° | 127.0° |
| C7 | N4 | HN4 | 118.3° | 118.9° |
| N4 | C12 | C16 | 115.1° | 122.3° |
| C12 | N4 | HN4 | 118.3° | 122.3° |
| O4 | C22 | N10 | 123.1° | 122.1° |
| O4 | C22 | C49 | 120.5° | 121.3° |
| C14 | N5 | C15 | 124.0° | 124.2° |
| C14 | N5 | C16 | 107.5° | 107.3° |
| N5 | C14 | C13 | 106.0° | 107.0° |
| N5 | C14 | H14 | 127.0° | 126.2° |
| C15 | N5 | C16 | 128.2° | 128.5° |
| N5 | C15 | H15 | 109.5° | 109.5° |
| N5 | C15 | H15A | 109.4° | 109.5° |
| N5 | C15 | H15B | 109.5° | 109.5° |
| N5 | C16 | N6 | 110.4° | 108.0° |
| N5 | C16 | C12 | 121.5° | 128.9° |
| O5 | C26 | N12 | 122.5° | 119.2° |
| O5 | C26 | C31 | 121.2° | 118.8° |
| C6 | C10 | C11 | 127.5° | 122.7° |
| C13 | N6 | C16 | 105.3° | 109.6° |
| N6 | C13 | N7 | 121.1° | 127.6° |
| N6 | C13 | C14 | 110.8° | 108.0° |
| N6 | C16 | C12 | 128.1° | 123.1° |
| O6 | C32 | N14 | 121.5° | 119.9° |
| O6 | C32 | C37 | 120.1° | 117.4° |
| C8 | C7 | C11 | 107.6° | 107.6° |
| C7 | C8 | H8 | 125.6° | 125.6° |
| C7 | C11 | C10 | 107.8° | 107.3° |
| C7 | C11 | H11 | 126.1° | 127.8° |
| C13 | N7 | C17 | 121.8° | 118.5° |
| N7 | C13 | C14 | 128.1° | 124.4° |
| C13 | N7 | HN7 | 119.1° | 119.4° |
| N7 | C17 | C18 | 118.8° | 118.8° |
| C17 | N7 | HN7 | 119.1° | 122.0° |
| O7 | C38 | N16 | 121.4° | 120.1° |
| O7 | C38 | C42 | 119.4° | 117.8° |
| C18 | N8 | C20 | 108.9° | 107.5° |
| C18 | N8 | C21 | 126.2° | 128.6° |
| N8 | C18 | N9 | 111.1° | 107.8° |
| N8 | C18 | C17 | 122.8° | 127.7° |
| C20 | N8 | C21 | 124.9° | 124.0° |
| N8 | C20 | C19 | 104.2° | 106.9° |
| N8 | C20 | H20 | 127.9° | 126.4° |
| N8 | C21 | H21 | 109.5° | 109.4° |
| N8 | C21 | H21A | 109.5° | 109.5° |
| N8 | C21 | H21B | 109.5° | 109.4° |
| O8 | C43 | N19 | 121.8° | 120.4° |
| O8 | C43 | C44 | 120.7° | 119.9° |
| C18 | N9 | C19 | 104.4° | 109.7° |
| N9 | C18 | C17 | 126.0° | 124.5° |
| N9 | C19 | N10 | 120.8° | 129.4° |
| N9 | C19 | C20 | 111.1° | 108.1° |
| O9 | C48 | N22 | 123.5° | 121.4° |
| O9 | C48 | C23 | 118.9° | 121.4° |
| C10 | C11 | H11 | 126.1° | 124.8° |
| C19 | N10 | C22 | 125.9° | 123.7° |
| N10 | C19 | C20 | 127.5° | 122.5° |
| C19 | N10 | HN10 | 117.0° | 118.2° |
| N10 | C22 | C49 | 116.4° | 116.6° |
| C22 | N10 | HN10 | 117.1° | 118.1° |
| N11 | C23 | C24 | 107.4° | 109.3° |
| N11 | C23 | C48 | 108.0° | 109.2° |
| C23 | N11 | HN11 | 109.5° | 111.0° |
| C23 | N11 | HN1A | 109.5° | 111.0° |
| N11 | C23 | H23 | 113.7° | 109.2° |
| C26 | N12 | C51 | 126.6° | 116.1° |
| N12 | C26 | C31 | 116.3° | 122.0° |
| C26 | N12 | HN12 | 116.7° | 122.6° |
| N12 | C51 | C50 | 113.3° | 110.8° |
| C51 | N12 | HN12 | 116.7° | 121.3° |
| N12 | C51 | H51 | 108.2° | 108.5° |
| N12 | C51 | H51A | 108.2° | 109.3° |
| C13 | C14 | H14 | 127.0° | 126.8° |
| C29 | N13 | C30 | 124.0° | 124.1° |
| C29 | N13 | C31 | 108.2° | 109.0° |
| N13 | C29 | C27 | 109.2° | 108.6° |
| N13 | C29 | H29 | 125.4° | 125.9° |
| C30 | N13 | C31 | 127.8° | 126.8° |
| N13 | C30 | H30 | 109.5° | 109.5° |
| N13 | C30 | H30A | 109.5° | 109.4° |
| N13 | C30 | H30B | 109.5° | 109.4° |
| N13 | C31 | C26 | 123.4° | 129.0° |
| N13 | C31 | C28 | 107.6° | 107.3° |
| C27 | N14 | C32 | 124.8° | 118.5° |
| N14 | C27 | C28 | 121.7° | 127.4° |
| N14 | C27 | C29 | 130.5° | 124.9° |
| C27 | N14 | HN14 | 117.6° | 119.4° |
| N14 | C32 | C37 | 118.4° | 122.7° |
| C32 | N14 | HN14 | 117.6° | 122.0° |
| C35 | N15 | C36 | 123.1° | 123.7° |
| C35 | N15 | C37 | 107.8° | 108.8° |
| N15 | C35 | C34 | 113.3° | 108.8° |
| N15 | C35 | H35 | 123.4° | 125.6° |
| C36 | N15 | C37 | 128.4° | 127.5° |
| N15 | C36 | H36 | 109.5° | 109.4° |
| N15 | C36 | H36A | 109.4° | 109.5° |
| N15 | C36 | H36B | 109.5° | 109.4° |
| N15 | C37 | C32 | 123.5° | 129.9° |
| N15 | C37 | C33 | 106.9° | 107.3° |
| C34 | N16 | C38 | 123.8° | 118.3° |
| N16 | C34 | C33 | 126.3° | 127.5° |
| N16 | C34 | C35 | 130.4° | 124.9° |
| C34 | N16 | HN16 | 118.1° | 119.1° |
| N16 | C38 | C42 | 119.2° | 122.1° |
| C38 | N16 | HN16 | 118.1° | 122.6° |
| C40 | N17 | C41 | 124.1° | 124.2° |
| C40 | N17 | C42 | 106.3° | 107.3° |
| N17 | C40 | C39 | 109.6° | 107.0° |
| N17 | C40 | H40 | 125.2° | 126.1° |
| C41 | N17 | C42 | 128.9° | 128.5° |
| N17 | C41 | H41 | 109.5° | 109.5° |
| N17 | C41 | H41A | 109.5° | 109.5° |
| N17 | C41 | H41B | 109.5° | 109.5° |
| N17 | C42 | N18 | 110.0° | 108.0° |
| N17 | C42 | C38 | 123.8° | 129.0° |
| C39 | N18 | C42 | 104.9° | 109.6° |
| N18 | C39 | N19 | 119.5° | 127.3° |
| N18 | C39 | C40 | 108.9° | 108.0° |
| N18 | C42 | C38 | 125.9° | 123.0° |
| C19 | C20 | H20 | 127.9° | 126.7° |
| C39 | N19 | C43 | 121.4° | 118.8° |
| N19 | C39 | C40 | 131.6° | 124.7° |
| C39 | N19 | HN19 | 119.3° | 119.3° |
| N19 | C43 | C44 | 117.5° | 119.7° |
| C43 | N19 | HN19 | 119.2° | 121.9° |
| C44 | N20 | C46 | 108.0° | 107.5° |
| C44 | N20 | C47 | 127.5° | 128.5° |
| N20 | C44 | N21 | 109.8° | 107.7° |
| N20 | C44 | C43 | 123.5° | 128.0° |
| C46 | N20 | C47 | 124.2° | 124.0° |
| N20 | C46 | C45 | 107.1° | 107.0° |
| N20 | C46 | H46 | 126.5° | 126.2° |
| N20 | C47 | H47 | 109.5° | 109.5° |
| N20 | C47 | H47A | 109.5° | 109.5° |
| N20 | C47 | H47B | 109.4° | 109.5° |
| C44 | N21 | C45 | 104.8° | 109.7° |
| N21 | C44 | C43 | 126.3° | 124.3° |
| N21 | C45 | N22 | 120.6° | 129.3° |
| N21 | C45 | C46 | 110.1° | 108.1° |
| C22 | C49 | N23 | 110.0° | 108.6° |
| C22 | C49 | C50 | 116.4° | 111.5° |
| C22 | C49 | H49 | 103.9° | 109.1° |
| C45 | N22 | C48 | 125.4° | 122.3° |
| N22 | C45 | C46 | 129.2° | 122.6° |
| C45 | N22 | HN22 | 117.3° | 118.8° |
| N22 | C48 | C23 | 117.3° | 117.3° |
| C48 | N22 | HN22 | 117.3° | 118.9° |
| C24 | C23 | C48 | 114.6° | 110.8° |
| C23 | C24 | C25 | 115.2° | 109.6° |
| C24 | C23 | H23 | 107.0° | 109.3° |
| C23 | C24 | H24 | 107.6° | 109.6° |
| C23 | C24 | H24A | 107.6° | 109.4° |
| C48 | C23 | H23 | 106.4° | 109.1° |
| N23 | C49 | C50 | 108.6° | 109.3° |
| C49 | N23 | HN23 | 109.5° | 111.0° |
| C49 | N23 | HN2A | 109.5° | 111.0° |
| N23 | C49 | H49 | 112.5° | 109.1° |
| C25 | C24 | H24 | 107.6° | 109.5° |
| C25 | C24 | H24A | 107.6° | 109.3° |
| C24 | C25 | H25 | 108.5° | 109.3° |
| C24 | C25 | H25A | 108.5° | 109.3° |
| C26 | C31 | C28 | 128.9° | 123.8° |
| C28 | C27 | C29 | 107.7° | 107.8° |
| C27 | C28 | C31 | 107.3° | 107.4° |
| C27 | C28 | H28 | 126.3° | 127.8° |
| C27 | C29 | H29 | 125.4° | 125.6° |
| C31 | C28 | H28 | 126.3° | 124.9° |
| C32 | C37 | C33 | 129.6° | 122.8° |
| C34 | C33 | C37 | 108.6° | 107.5° |
| C33 | C34 | C35 | 102.7° | 107.6° |
| C34 | C33 | H33 | 125.7° | 127.8° |
| C37 | C33 | H33 | 125.7° | 124.7° |
| C34 | C35 | H35 | 123.4° | 125.6° |
| C39 | C40 | H40 | 125.2° | 126.9° |
| C45 | C46 | H46 | 126.4° | 126.8° |
| C49 | C50 | C51 | 116.0° | 110.0° |
| C50 | C49 | H49 | 105.4° | 109.2° |
| C49 | C50 | H50 | 107.4° | 109.4° |
| C49 | C50 | H50A | 107.3° | 109.4° |
| C51 | C50 | H50 | 107.3° | 109.3° |
| C51 | C50 | H50A | 107.4° | 109.4° |
| C50 | C51 | H51 | 108.2° | 109.6° |
| C50 | C51 | H51A | 108.2° | 109.4° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.4° |
| H9 | C9 | H9A | 109.5° | 109.5° |
| H9 | C9 | H9B | 109.5° | 109.5° |
| H9A | C9 | H9B | 109.5° | 109.5° |
| HN11 | N11 | HN1A | 109.4° | 111.1° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H21 | C21 | H21A | 109.5° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.6° |
| HN23 | N23 | HN2A | 109.5° | 110.9° |
| H24 | C24 | H24A | 111.3° | 109.5° |
| H25 | C25 | H25A | 110.4° | 109.0° |
| H30 | C30 | H30A | 109.4° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.5° | 109.5° |
| H36 | C36 | H36B | 109.5° | 109.5° |
| H36A | C36 | H36B | 109.5° | 109.5° |
| H41 | C41 | H41A | 109.5° | 109.5° |
| H41 | C41 | H41B | 109.5° | 109.5° |
| H41A | C41 | H41B | 109.4° | 109.5° |
| H47 | C47 | H47A | 109.5° | 109.5° |
| H47 | C47 | H47B | 109.5° | 109.4° |
| H47A | C47 | H47B | 109.5° | 109.4° |
| H50 | C50 | H50A | 111.5° | 109.3° |
| H51 | C51 | H51A | 110.7° | 109.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | O | C5 | 177.6° | 178.7° |
| C | N | C25 | HN | 180.0° | 178.4° |
| N | C | C5 | N1 | 179.1° | 19.6° |
| N | C | C5 | C2 | 4.8° | 160.3° |
| C | N | C25 | C24 | 132.2° | 104.8° |
| C | N | C25 | H25 | 107.9° | 15.8° |
| C | N | C25 | H25A | 12.2° | 135.1° |
| O | C | N | C25 | 0.2° | 10.4° |
| O | C | C5 | N1 | 1.3° | 159.0° |
| O | C | C5 | C2 | 173.0° | 21.1° |
| O | C | N | HN | 179.8° | 168.0° |
| C5 | C | N | C25 | 177.9° | 168.2° |
| C | C5 | C2 | C1 | 176.4° | 178.8° |
| C | C5 | N1 | C3 | 176.2° | 178.7° |
| C | C5 | N1 | C4 | 4.3° | 1.9° |
| C | C5 | N1 | C2 | 175.2° | 179.9° |
| C5 | C | N | HN | 2.2° | 13.4° |
| C | C5 | C2 | H2 | 3.6° | 1.4° |
| N | C25 | C24 | C23 | 88.4° | 131.4° |
| N | C25 | C24 | H25 | 120.0° | 120.8° |
| N | C25 | C24 | H25A | 120.0° | 119.9° |
| N | C25 | C24 | H24 | 151.6° | 108.3° |
| N | C25 | C24 | H24A | 31.6° | 11.5° |
| N | C25 | H25 | H25A | 118.9° | 119.2° |
| C2 | C1 | N2 | C3 | 179.0° | 179.9° |
| C2 | C1 | C3 | N1 | 0.5° | 0.2° |
| C1 | C2 | C5 | N1 | 1.2° | 1.1° |
| C1 | C2 | C5 | H2 | 180.0° | 179.8° |
| C2 | C1 | N2 | C6 | 173.6° | 0.1° |
| C2 | C1 | N2 | HN2 | 6.4° | 178.1° |
| C2 | C1 | C3 | H3 | 179.5° | 179.9° |
| N2 | C1 | C3 | N1 | 179.6° | 179.8° |
| C1 | N2 | C6 | O1 | 4.4° | 10.5° |
| N2 | C1 | C2 | C5 | 179.8° | 179.5° |
| C1 | N2 | C6 | HN2 | 180.0° | 178.2° |
| C1 | N2 | C6 | C10 | 175.4° | 170.6° |
| N2 | C1 | C2 | H2 | 0.2° | 0.7° |
| N2 | C1 | C3 | H3 | 0.4° | 0.2° |
| C1 | C3 | N1 | H3 | 180.0° | 180.0° |
| C1 | C3 | N1 | C4 | 179.9° | 178.5° |
| C1 | C3 | N1 | C5 | 0.3° | 0.8° |
| C3 | C1 | C2 | C5 | 1.0° | 0.6° |
| C3 | C1 | N2 | C6 | 7.5° | 179.8° |
| C3 | C1 | C2 | H2 | 179.0° | 179.2° |
| C3 | C1 | N2 | HN2 | 172.5° | 1.9° |
| C3 | N1 | C4 | C5 | 179.5° | 179.3° |
| C3 | N1 | C5 | C2 | 0.9° | 1.2° |
| C3 | N1 | C4 | H4 | 180.0° | 90.0° |
| C3 | N1 | C4 | H4A | 60.0° | 150.0° |
| C3 | N1 | C4 | H4B | 60.0° | 30.0° |
| C4 | N1 | C5 | C2 | 179.5° | 178.2° |
| C4 | N1 | C3 | H3 | 0.2° | 1.4° |
| N1 | C4 | H4 | H4A | 120.0° | 120.0° |
| N1 | C4 | H4 | H4B | 120.0° | 120.0° |
| N1 | C4 | H4A | H4B | 120.0° | 120.0° |
| N1 | C5 | C2 | H2 | 178.8° | 178.7° |
| C5 | N1 | C3 | H3 | 179.7° | 179.2° |
| C5 | N1 | C4 | H4 | 0.5° | 90.7° |
| C5 | N1 | C4 | H4A | 119.5° | 29.3° |
| C5 | N1 | C4 | H4B | 120.5° | 149.2° |
| O1 | C6 | N2 | C10 | 179.8° | 178.9° |
| O1 | C6 | C10 | N3 | 3.0° | 162.4° |
| O1 | C6 | C10 | C11 | 168.9° | 17.9° |
| O1 | C6 | N2 | HN2 | 175.6° | 167.7° |
| N2 | C6 | C10 | N3 | 177.2° | 18.7° |
| N2 | C6 | C10 | C11 | 10.9° | 161.0° |
| O2 | C12 | N4 | C7 | 2.4° | 1.8° |
| O2 | C12 | N4 | C16 | 180.0° | 178.3° |
| O2 | C12 | C16 | N5 | 14.9° | 158.6° |
| O2 | C12 | C16 | N6 | 162.7° | 23.1° |
| O2 | C12 | N4 | HN4 | 177.6° | 179.9° |
| C8 | N3 | C9 | C10 | 176.7° | 179.1° |
| N3 | C8 | C7 | N4 | 179.0° | 179.3° |
| C8 | N3 | C10 | C6 | 175.2° | 179.1° |
| N3 | C8 | C7 | H8 | 180.0° | 179.9° |
| N3 | C8 | C7 | C11 | 0.1° | 0.0° |
| C8 | N3 | C10 | C11 | 1.9° | 0.6° |
| C8 | N3 | C9 | H9 | 180.0° | 90.0° |
| C8 | N3 | C9 | H9A | 60.0° | 150.0° |
| C8 | N3 | C9 | H9B | 60.0° | 30.0° |
| C9 | N3 | C10 | C6 | 7.7° | 1.6° |
| C9 | N3 | C8 | C7 | 178.2° | 178.9° |
| C9 | N3 | C10 | C11 | 179.0° | 178.6° |
| C9 | N3 | C8 | H8 | 1.8° | 1.2° |
| N3 | C9 | H9 | H9A | 120.0° | 120.0° |
| N3 | C9 | H9 | H9B | 120.0° | 120.0° |
| N3 | C9 | H9A | H9B | 120.0° | 120.1° |
| N3 | C10 | C6 | C11 | 171.9° | 179.7° |
| C10 | N3 | C8 | C7 | 1.1° | 0.4° |
| N3 | C10 | C11 | C7 | 1.9° | 0.6° |
| C10 | N3 | C8 | H8 | 178.9° | 179.6° |
| C10 | N3 | C9 | H9 | 3.3° | 90.9° |
| C10 | N3 | C9 | H9A | 116.7° | 29.1° |
| C10 | N3 | C9 | H9B | 123.3° | 149.1° |
| N3 | C10 | C11 | H11 | 178.1° | 179.1° |
| O3 | C17 | N7 | C13 | 1.4° | 14.4° |
| O3 | C17 | N7 | C18 | 174.4° | 179.5° |
| O3 | C17 | C18 | N8 | 22.2° | 156.7° |
| O3 | C17 | C18 | N9 | 156.6° | 23.7° |
| O3 | C17 | N7 | HN7 | 178.6° | 162.6° |
| C7 | N4 | C12 | HN4 | 180.0° | 178.3° |
| N4 | C7 | C8 | C11 | 178.9° | 179.3° |
| N4 | C7 | C11 | C10 | 179.9° | 179.6° |
| C7 | N4 | C12 | C16 | 177.5° | 176.5° |
| N4 | C7 | C8 | H8 | 1.0° | 0.8° |
| N4 | C7 | C11 | H11 | 0.1° | 0.0° |
| N4 | C12 | C16 | N5 | 165.1° | 23.1° |
| N4 | C12 | C16 | N6 | 17.3° | 155.2° |
| C12 | N4 | C7 | C8 | 16.4° | 169.0° |
| C12 | N4 | C7 | C11 | 165.0° | 11.9° |
| O4 | C22 | N10 | C19 | 12.5° | 15.1° |
| O4 | C22 | N10 | C49 | 179.5° | 178.6° |
| O4 | C22 | C49 | N23 | 11.0° | 119.7° |
| O4 | C22 | C49 | C50 | 113.0° | 0.8° |
| O4 | C22 | N10 | HN10 | 167.5° | 164.6° |
| O4 | C22 | C49 | H49 | 131.6° | 121.5° |
| C14 | N5 | C15 | C16 | 172.2° | 178.8° |
| N5 | C14 | C13 | N6 | 1.7° | 1.1° |
| C14 | N5 | C16 | N6 | 0.6° | 3.1° |
| N5 | C14 | C13 | N7 | 177.9° | 177.9° |
| C14 | N5 | C16 | C12 | 178.5° | 175.4° |
| N5 | C14 | C13 | H14 | 180.0° | 179.9° |
| C14 | N5 | C15 | H15 | 180.0° | 85.3° |
| C14 | N5 | C15 | H15A | 60.0° | 154.6° |
| C14 | N5 | C15 | H15B | 60.0° | 34.7° |
| C15 | N5 | C16 | N6 | 173.8° | 175.9° |
| C15 | N5 | C16 | C12 | 8.2° | 5.6° |
| C15 | N5 | C14 | C13 | 175.0° | 176.5° |
| C15 | N5 | C14 | H14 | 5.1° | 3.4° |
| N5 | C15 | H15 | H15A | 120.0° | 120.1° |
| N5 | C15 | H15 | H15B | 120.0° | 120.0° |
| N5 | C15 | H15A | H15B | 120.0° | 120.0° |
| N5 | C16 | N6 | C13 | 0.5° | 2.5° |
| N5 | C16 | N6 | C12 | 177.8° | 178.6° |
| C16 | N5 | C14 | C13 | 1.4° | 2.6° |
| C16 | N5 | C14 | H14 | 178.7° | 177.5° |
| C16 | N5 | C15 | H15 | 7.8° | 93.5° |
| C16 | N5 | C15 | H15A | 112.2° | 26.5° |
| C16 | N5 | C15 | H15B | 127.8° | 146.5° |
| O5 | C26 | N12 | C31 | 178.8° | 180.0° |
| O5 | C26 | N12 | C51 | 3.8° | 18.6° |
| O5 | C26 | C31 | N13 | 2.3° | 154.3° |
| O5 | C26 | C31 | C28 | 177.1° | 26.3° |
| O5 | C26 | N12 | HN12 | 176.2° | 159.8° |
| C6 | C10 | C11 | C7 | 175.2° | 179.2° |
| C10 | C6 | N2 | HN2 | 4.6° | 11.3° |
| C6 | C10 | C11 | H11 | 4.8° | 1.2° |
| N6 | C13 | N7 | C14 | 179.6° | 178.8° |
| N6 | C13 | N7 | C17 | 174.6° | 14.5° |
| C13 | N6 | C16 | C12 | 177.3° | 176.1° |
| N6 | C13 | N7 | HN7 | 5.4° | 162.6° |
| N6 | C13 | C14 | H14 | 178.3° | 179.0° |
| C16 | N6 | C13 | N7 | 178.3° | 179.8° |
| C16 | N6 | C13 | C14 | 1.4° | 0.8° |
| O6 | C32 | N14 | C27 | 3.2° | 12.8° |
| O6 | C32 | N14 | C37 | 177.7° | 179.1° |
| O6 | C32 | C37 | N15 | 13.5° | 162.4° |
| O6 | C32 | C37 | C33 | 165.3° | 17.9° |
| O6 | C32 | N14 | HN14 | 176.8° | 165.4° |
| C8 | C7 | C11 | C10 | 1.3° | 0.4° |
| C8 | C7 | N4 | HN4 | 163.6° | 12.6° |
| C8 | C7 | C11 | H11 | 178.7° | 179.3° |
| C7 | C11 | C10 | H11 | 180.0° | 179.7° |
| C11 | C7 | N4 | HN4 | 15.0° | 166.5° |
| C11 | C7 | C8 | H8 | 179.9° | 179.9° |
| C13 | N7 | C17 | HN7 | 180.0° | 177.0° |
| C13 | N7 | C17 | C18 | 175.7° | 166.1° |
| N7 | C13 | C14 | H14 | 2.0° | 2.0° |
| N7 | C17 | C18 | N8 | 163.1° | 23.7° |
| N7 | C17 | C18 | N9 | 18.1° | 155.9° |
| C17 | N7 | C13 | C14 | 5.8° | 164.3° |
| O7 | C38 | N16 | C34 | 3.6° | 0.6° |
| O7 | C38 | N16 | C42 | 179.5° | 178.3° |
| O7 | C38 | C42 | N17 | 12.3° | 158.9° |
| O7 | C38 | C42 | N18 | 160.9° | 22.7° |
| O7 | C38 | N16 | HN16 | 176.4° | 179.0° |
| C18 | N8 | C20 | C21 | 177.0° | 178.5° |
| N8 | C18 | N9 | C17 | 178.9° | 179.7° |
| N8 | C18 | N9 | C19 | 1.7° | 0.7° |
| C18 | N8 | C20 | C19 | 6.2° | 2.5° |
| C18 | N8 | C20 | H20 | 173.9° | 177.6° |
| C18 | N8 | C21 | H21 | 180.0° | 90.0° |
| C18 | N8 | C21 | H21A | 60.0° | 150.0° |
| C18 | N8 | C21 | H21B | 60.0° | 29.9° |
| C20 | N8 | C18 | N9 | 5.2° | 2.0° |
| N8 | C20 | C19 | N9 | 5.3° | 2.1° |
| N8 | C20 | C19 | N10 | 176.6° | 176.6° |
| C20 | N8 | C18 | C17 | 173.7° | 177.6° |
| N8 | C20 | C19 | H20 | 180.0° | 179.9° |
| C20 | N8 | C21 | H21 | 3.5° | 91.8° |
| C20 | N8 | C21 | H21A | 116.5° | 28.1° |
| C20 | N8 | C21 | H21B | 123.5° | 148.2° |
| C21 | N8 | C18 | N9 | 177.8° | 176.4° |
| C21 | N8 | C18 | C17 | 3.2° | 4.0° |
| C21 | N8 | C20 | C19 | 176.8° | 176.0° |
| C21 | N8 | C20 | H20 | 3.1° | 4.0° |
| N8 | C21 | H21 | H21A | 120.0° | 119.9° |
| N8 | C21 | H21 | H21B | 120.0° | 119.9° |
| N8 | C21 | H21A | H21B | 120.0° | 120.0° |
| O8 | C43 | N19 | C39 | 1.1° | 13.8° |
| O8 | C43 | N19 | C44 | 179.3° | 179.4° |
| O8 | C43 | C44 | N20 | 12.7° | 157.6° |
| O8 | C43 | C44 | N21 | 159.6° | 22.8° |
| O8 | C43 | N19 | HN19 | 178.9° | 163.3° |
| C18 | N9 | C19 | N10 | 174.3° | 177.7° |
| C18 | N9 | C19 | C20 | 2.3° | 0.9° |
| N9 | C19 | N10 | C20 | 170.6° | 178.4° |
| N9 | C19 | N10 | C22 | 154.0° | 5.7° |
| C19 | N9 | C18 | C17 | 177.2° | 179.0° |
| N9 | C19 | N10 | HN10 | 26.0° | 174.0° |
| N9 | C19 | C20 | H20 | 174.7° | 178.0° |
| O9 | C48 | C23 | N11 | 23.8° | 107.2° |
| O9 | C48 | N22 | C45 | 6.4° | 2.6° |
| O9 | C48 | N22 | C23 | 173.5° | 179.8° |
| O9 | C48 | C23 | C24 | 95.9° | 13.2° |
| O9 | C48 | N22 | HN22 | 173.6° | 177.6° |
| O9 | C48 | C23 | H23 | 146.2° | 133.5° |
| C19 | N10 | C22 | HN10 | 180.0° | 179.8° |
| C19 | N10 | C22 | C49 | 168.0° | 163.4° |
| N10 | C19 | C20 | H20 | 3.4° | 3.3° |
| C22 | N10 | C19 | C20 | 16.6° | 172.7° |
| N10 | C22 | C49 | N23 | 168.5° | 58.9° |
| N10 | C22 | C49 | C50 | 67.5° | 179.4° |
| N10 | C22 | C49 | H49 | 47.9° | 59.9° |
| N11 | C23 | C48 | N22 | 162.4° | 73.0° |
| N11 | C23 | C24 | C48 | 119.9° | 120.4° |
| N11 | C23 | C24 | H23 | 122.4° | 119.4° |
| N11 | C23 | C48 | H23 | 122.4° | 119.3° |
| N11 | C23 | C24 | C25 | 85.5° | 99.0° |
| C23 | N11 | HN11 | HN1A | 120.0° | 124.0° |
| N11 | C23 | C24 | H24 | 34.5° | 140.8° |
| N11 | C23 | C24 | H24A | 154.5° | 20.8° |
| C16 | C12 | N4 | HN4 | 2.5° | 1.8° |
| C26 | N12 | C51 | HN12 | 180.0° | 178.5° |
| N12 | C26 | C31 | N13 | 178.9° | 25.7° |
| N12 | C26 | C31 | C28 | 4.1° | 153.8° |
| C26 | N12 | C51 | C50 | 119.5° | 107.1° |
| C26 | N12 | C51 | H51 | 120.5° | 132.6° |
| C26 | N12 | C51 | H51A | 0.5° | 13.6° |
| C51 | N12 | C26 | C31 | 177.4° | 161.3° |
| N12 | C51 | C50 | C49 | 92.4° | 148.1° |
| N12 | C51 | C50 | H51 | 120.0° | 119.7° |
| N12 | C51 | C50 | H51A | 120.0° | 120.6° |
| N12 | C51 | C50 | H50 | 147.6° | 27.9° |
| N12 | C51 | C50 | H50A | 27.6° | 91.7° |
| N12 | C51 | H51 | H51A | 118.4° | 119.1° |
| C14 | C13 | N7 | HN7 | 174.2° | 18.6° |
| C29 | N13 | C30 | C31 | 178.6° | 179.1° |
| N13 | C29 | C27 | N14 | 178.4° | 179.7° |
| C29 | N13 | C31 | C26 | 176.2° | 178.8° |
| N13 | C29 | C27 | C28 | 0.1° | 0.2° |
| N13 | C29 | C27 | H29 | 180.0° | 180.0° |
| C29 | N13 | C31 | C28 | 0.4° | 0.7° |
| C29 | N13 | C30 | H30 | 180.0° | 89.9° |
| C29 | N13 | C30 | H30A | 60.0° | 150.0° |
| C29 | N13 | C30 | H30B | 60.0° | 30.1° |
| C30 | N13 | C31 | C26 | 2.6° | 2.0° |
| C30 | N13 | C29 | C27 | 178.5° | 178.7° |
| C30 | N13 | C31 | C28 | 178.4° | 178.5° |
| C30 | N13 | C29 | H29 | 1.5° | 1.3° |
| N13 | C30 | H30 | H30A | 120.0° | 120.0° |
| N13 | C30 | H30 | H30B | 120.0° | 120.0° |
| N13 | C30 | H30A | H30B | 120.0° | 119.9° |
| N13 | C31 | C26 | C28 | 174.9° | 179.4° |
| N13 | C31 | C28 | C27 | 0.3° | 0.5° |
| C31 | N13 | C29 | C27 | 0.4° | 0.6° |
| N13 | C31 | C28 | H28 | 179.7° | 179.4° |
| C31 | N13 | C29 | H29 | 179.7° | 179.4° |
| C31 | N13 | C30 | H30 | 1.4° | 89.2° |
| C31 | N13 | C30 | H30A | 121.3° | 30.8° |
| C31 | N13 | C30 | H30B | 118.6° | 150.8° |
| C27 | N14 | C32 | HN14 | 180.0° | 178.3° |
| N14 | C27 | C28 | C29 | 178.7° | 179.9° |
| N14 | C27 | C28 | C31 | 178.8° | 179.9° |
| C27 | N14 | C32 | C37 | 174.5° | 168.1° |
| N14 | C27 | C28 | H28 | 1.2° | 0.2° |
| N14 | C27 | C29 | H29 | 1.6° | 0.3° |
| N14 | C32 | C37 | N15 | 168.7° | 18.5° |
| C32 | N14 | C27 | C28 | 166.0° | 1.2° |
| C32 | N14 | C27 | C29 | 15.6° | 178.9° |
| N14 | C32 | C37 | C33 | 12.5° | 161.2° |
| C35 | N15 | C36 | C37 | 169.4° | 179.4° |
| N15 | C35 | C34 | N16 | 179.8° | 179.3° |
| C35 | N15 | C37 | C32 | 179.6° | 178.9° |
| N15 | C35 | C34 | C33 | 8.6° | 1.0° |
| C35 | N15 | C37 | C33 | 1.3° | 0.8° |
| N15 | C35 | C34 | H35 | 180.0° | 179.8° |
| C35 | N15 | C36 | H36 | 180.0° | 95.9° |
| C35 | N15 | C36 | H36A | 60.0° | 144.1° |
| C35 | N15 | C36 | H36B | 60.0° | 24.1° |
| C36 | N15 | C37 | C32 | 8.9° | 1.6° |
| C36 | N15 | C37 | C33 | 172.0° | 178.6° |
| C36 | N15 | C35 | C34 | 177.8° | 178.3° |
| C36 | N15 | C35 | H35 | 2.2° | 1.8° |
| N15 | C36 | H36 | H36A | 120.0° | 120.0° |
| N15 | C36 | H36 | H36B | 120.0° | 120.0° |
| N15 | C36 | H36A | H36B | 120.0° | 120.0° |
| N15 | C37 | C32 | C33 | 178.8° | 179.7° |
| N15 | C37 | C33 | C34 | 4.0° | 0.2° |
| C37 | N15 | C35 | C34 | 6.5° | 1.2° |
| N15 | C37 | C33 | H33 | 176.0° | 179.4° |
| C37 | N15 | C35 | H35 | 173.6° | 178.7° |
| C37 | N15 | C36 | H36 | 10.6° | 83.5° |
| C37 | N15 | C36 | H36A | 109.4° | 36.5° |
| C37 | N15 | C36 | H36B | 130.6° | 156.5° |
| C34 | N16 | C38 | HN16 | 180.0° | 178.4° |
| N16 | C34 | C33 | C35 | 172.0° | 179.7° |
| N16 | C34 | C33 | C37 | 179.3° | 179.8° |
| C34 | N16 | C38 | C42 | 175.9° | 177.6° |
| N16 | C34 | C33 | H33 | 0.7° | 0.2° |
| N16 | C34 | C35 | H35 | 0.1° | 0.9° |
| N16 | C38 | C42 | N17 | 168.2° | 22.8° |
| N16 | C38 | C42 | N18 | 18.6° | 155.7° |
| C38 | N16 | C34 | C33 | 164.7° | 10.1° |
| C38 | N16 | C34 | C35 | 5.0° | 169.6° |
| C18 | C17 | N7 | HN7 | 4.3° | 17.0° |
| C40 | N17 | C41 | C42 | 169.2° | 178.9° |
| N17 | C40 | C39 | N18 | 1.4° | 1.0° |
| C40 | N17 | C42 | N18 | 4.7° | 2.9° |
| N17 | C40 | C39 | N19 | 177.8° | 178.0° |
| C40 | N17 | C42 | C38 | 178.9° | 175.7° |
| N17 | C40 | C39 | H40 | 180.0° | 179.9° |
| C40 | N17 | C41 | H41 | 180.0° | 90.0° |
| C40 | N17 | C41 | H41A | 60.0° | 150.1° |
| C40 | N17 | C41 | H41B | 60.0° | 30.1° |
| C41 | N17 | C42 | N18 | 175.5° | 176.2° |
| C41 | N17 | C42 | C38 | 10.4° | 5.2° |
| C41 | N17 | C40 | C39 | 175.0° | 176.7° |
| C41 | N17 | C40 | H40 | 5.0° | 3.2° |
| N17 | C41 | H41 | H41A | 120.0° | 120.0° |
| N17 | C41 | H41 | H41B | 120.0° | 120.1° |
| N17 | C41 | H41A | H41B | 120.0° | 120.0° |
| N17 | C42 | N18 | C39 | 3.8° | 2.3° |
| N17 | C42 | N18 | C38 | 174.0° | 178.7° |
| C42 | N17 | C40 | C39 | 3.8° | 2.4° |
| C42 | N17 | C40 | H40 | 176.3° | 177.7° |
| C42 | N17 | C41 | H41 | 10.8° | 91.1° |
| C42 | N17 | C41 | H41A | 109.3° | 28.9° |
| C42 | N17 | C41 | H41B | 130.8° | 148.9° |
| N18 | C39 | N19 | C40 | 179.2° | 178.8° |
| N18 | C39 | N19 | C43 | 178.9° | 13.2° |
| C39 | N18 | C42 | C38 | 177.9° | 176.4° |
| N18 | C39 | N19 | HN19 | 1.1° | 163.9° |
| N18 | C39 | C40 | H40 | 178.6° | 179.0° |
| C42 | N18 | C39 | N19 | 179.2° | 179.8° |
| C42 | N18 | C39 | C40 | 1.4° | 0.8° |
| C20 | C19 | N10 | HN10 | 163.4° | 7.6° |
| C39 | N19 | C43 | HN19 | 180.0° | 177.1° |
| C39 | N19 | C43 | C44 | 179.6° | 166.9° |
| N19 | C39 | C40 | H40 | 2.2° | 1.9° |
| N19 | C43 | C44 | N20 | 166.6° | 23.0° |
| N19 | C43 | C44 | N21 | 21.1° | 156.6° |
| C43 | N19 | C39 | C40 | 0.3° | 165.6° |
| C44 | N20 | C46 | C47 | 173.9° | 178.6° |
| N20 | C44 | N21 | C43 | 173.2° | 179.7° |
| N20 | C44 | N21 | C45 | 1.9° | 0.6° |
| C44 | N20 | C46 | C45 | 2.7° | 1.9° |
| C44 | N20 | C46 | H46 | 177.3° | 178.1° |
| C44 | N20 | C47 | H47 | 180.0° | 94.9° |
| C44 | N20 | C47 | H47A | 60.0° | 145.1° |
| C44 | N20 | C47 | H47B | 60.0° | 25.1° |
| C46 | N20 | C44 | N21 | 2.9° | 1.5° |
| N20 | C46 | C45 | N21 | 1.5° | 1.5° |
| N20 | C46 | C45 | N22 | 176.6° | 177.7° |
| C46 | N20 | C44 | C43 | 176.3° | 178.1° |
| N20 | C46 | C45 | H46 | 180.0° | 180.0° |
| C46 | N20 | C47 | H47 | 7.3° | 83.4° |
| C46 | N20 | C47 | H47A | 127.4° | 36.6° |
| C46 | N20 | C47 | H47B | 112.7° | 156.6° |
| C47 | N20 | C44 | N21 | 176.5° | 177.0° |
| C47 | N20 | C44 | C43 | 10.1° | 3.3° |
| C47 | N20 | C46 | C45 | 176.5° | 176.7° |
| C47 | N20 | C46 | H46 | 3.5° | 3.3° |
| N20 | C47 | H47 | H47A | 120.0° | 120.0° |
| N20 | C47 | H47 | H47B | 120.0° | 120.0° |
| N20 | C47 | H47A | H47B | 120.0° | 120.0° |
| C44 | N21 | C45 | N22 | 178.6° | 178.6° |
| C44 | N21 | C45 | C46 | 0.2° | 0.6° |
| N21 | C45 | N22 | C46 | 178.0° | 179.1° |
| N21 | C45 | N22 | C48 | 158.1° | 2.3° |
| C45 | N21 | C44 | C43 | 175.1° | 179.1° |
| N21 | C45 | N22 | HN22 | 21.9° | 177.9° |
| N21 | C45 | C46 | H46 | 178.5° | 178.5° |
| C22 | C49 | N23 | C50 | 128.5° | 121.8° |
| C22 | C49 | N23 | H49 | 115.3° | 118.8° |
| C22 | C49 | C50 | H49 | 114.5° | 120.7° |
| C22 | C49 | C50 | C51 | 42.8° | 160.7° |
| C49 | C22 | N10 | HN10 | 12.0° | 16.8° |
| C22 | C49 | N23 | HN23 | 180.0° | 60.0° |
| C22 | C49 | N23 | HN2A | 60.0° | 176.1° |
| C22 | C49 | C50 | H50 | 162.8° | 79.2° |
| C22 | C49 | C50 | H50A | 77.2° | 40.5° |
| C45 | N22 | C48 | HN22 | 180.0° | 179.8° |
| C45 | N22 | C48 | C23 | 167.1° | 177.2° |
| N22 | C45 | C46 | H46 | 3.4° | 2.3° |
| N22 | C48 | C23 | C24 | 78.0° | 166.6° |
| C48 | N22 | C45 | C46 | 19.9° | 176.8° |
| N22 | C48 | C23 | H23 | 40.0° | 46.3° |
| C24 | C23 | C48 | H23 | 118.0° | 120.3° |
| C23 | C24 | C25 | H24 | 120.0° | 120.3° |
| C23 | C24 | C25 | H24A | 120.0° | 119.8° |
| C24 | C23 | N11 | HN11 | 180.0° | 179.9° |
| C24 | C23 | N11 | HN1A | 60.0° | 56.0° |
| C23 | C24 | H24 | H24A | 117.6° | 120.0° |
| C23 | C24 | C25 | H25 | 151.6° | 107.8° |
| C23 | C24 | C25 | H25A | 31.6° | 11.5° |
| C48 | C23 | C24 | C25 | 34.4° | 140.6° |
| C48 | C23 | N11 | HN11 | 56.0° | 58.6° |
| C48 | C23 | N11 | HN1A | 175.9° | 177.4° |
| C23 | C48 | N22 | HN22 | 12.9° | 2.6° |
| C48 | C23 | C24 | H24 | 154.5° | 20.4° |
| C48 | C23 | C24 | H24A | 85.6° | 99.6° |
| N23 | C49 | C50 | H49 | 120.7° | 119.3° |
| N23 | C49 | C50 | C51 | 81.9° | 40.7° |
| C49 | N23 | HN23 | HN2A | 120.0° | 124.0° |
| N23 | C49 | C50 | H50 | 38.1° | 160.8° |
| N23 | C49 | C50 | H50A | 158.1° | 79.5° |
| C24 | C25 | N | HN | 47.9° | 73.7° |
| C25 | C24 | C23 | H23 | 152.1° | 20.4° |
| C25 | C24 | H24 | H24A | 117.7° | 119.8° |
| C24 | C25 | H25 | H25A | 118.8° | 119.4° |
| C26 | C31 | C28 | C27 | 175.8° | 179.0° |
| C31 | C26 | N12 | HN12 | 2.6° | 20.2° |
| C26 | C31 | C28 | H28 | 4.2° | 1.1° |
| C27 | C28 | C31 | H28 | 180.0° | 180.0° |
| C28 | C27 | N14 | HN14 | 13.9° | 179.5° |
| C28 | C27 | C29 | H29 | 179.9° | 179.8° |
| C29 | C27 | C28 | C31 | 0.1° | 0.2° |
| C29 | C27 | N14 | HN14 | 164.4° | 0.6° |
| C29 | C27 | C28 | H28 | 179.9° | 179.8° |
| C32 | C37 | C33 | C34 | 174.9° | 179.5° |
| C37 | C32 | N14 | HN14 | 5.5° | 13.6° |
| C32 | C37 | C33 | H33 | 5.1° | 0.8° |
| C34 | C33 | C37 | H33 | 180.0° | 179.6° |
| C33 | C34 | N16 | HN16 | 15.3° | 168.4° |
| C33 | C34 | C35 | H35 | 171.4° | 178.8° |
| C37 | C33 | C34 | C35 | 7.3° | 0.5° |
| C35 | C34 | N16 | HN16 | 175.0° | 12.0° |
| C35 | C34 | C33 | H33 | 172.7° | 179.9° |
| C42 | C38 | N16 | HN16 | 4.1° | 0.8° |
| C40 | C39 | N19 | HN19 | 179.7° | 17.2° |
| C44 | C43 | N19 | HN19 | 0.4° | 16.1° |
| C46 | C45 | N22 | HN22 | 160.0° | 3.1° |
| C49 | C50 | C51 | H50 | 120.0° | 120.2° |
| C49 | C50 | C51 | H50A | 120.0° | 120.2° |
| C50 | C49 | N23 | HN23 | 51.5° | 178.2° |
| C50 | C49 | N23 | HN2A | 68.5° | 54.3° |
| C49 | C50 | H50 | H50A | 117.3° | 119.8° |
| C49 | C50 | C51 | H51 | 147.6° | 28.4° |
| C49 | C50 | C51 | H51A | 27.6° | 91.3° |
| C50 | C51 | N12 | HN12 | 60.5° | 71.4° |
| C51 | C50 | C49 | H49 | 157.4° | 78.7° |
| C51 | C50 | H50 | H50A | 117.3° | 119.6° |
| C50 | C51 | H51 | H51A | 118.4° | 119.8° |
| HN | N | C25 | H25 | 72.1° | 165.8° |
| HN | N | C25 | H25A | 167.9° | 46.5° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| H9 | C9 | H9A | H9B | 120.0° | 120.0° |
| HN11 | N11 | C23 | H23 | 61.8° | 60.6° |
| HN1A | N11 | C23 | H23 | 58.1° | 63.4° |
| HN12 | N12 | C51 | H51 | 59.5° | 48.9° |
| HN12 | N12 | C51 | H51A | 179.5° | 167.9° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H21 | C21 | H21A | H21B | 120.0° | 120.1° |
| H23 | C23 | C24 | H24 | 87.9° | 99.8° |
| H23 | C23 | C24 | H24A | 32.1° | 140.2° |
| HN23 | N23 | C49 | H49 | 64.7° | 58.8° |
| HN2A | N23 | C49 | H49 | 175.3° | 65.1° |
| H24 | C24 | C25 | H25 | 31.6° | 12.5° |
| H24 | C24 | C25 | H25A | 88.4° | 131.8° |
| H24A | C24 | C25 | H25 | 88.4° | 132.4° |
| H24A | C24 | C25 | H25A | 151.6° | 108.4° |
| H30 | C30 | H30A | H30B | 120.0° | 120.1° |
| H36 | C36 | H36A | H36B | 120.0° | 120.1° |
| H41 | C41 | H41A | H41B | 120.0° | 120.0° |
| H47 | C47 | H47A | H47B | 120.0° | 119.9° |
| H49 | C49 | C50 | H50 | 82.6° | 41.5° |
| H49 | C49 | C50 | H50A | 37.4° | 161.2° |
| H50 | C50 | C51 | H51 | 27.6° | 91.8° |
| H50 | C50 | C51 | H51A | 92.4° | 148.5° |
| H50A | C50 | C51 | H51 | 92.4° | 148.6° |
| H50A | C50 | C51 | H51A | 147.6° | 28.9° |
