PRD_000491
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C3 | sing | 1.52Å | 1.54Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | O2 | sing | 1.45Å | 1.44Å | |
| C3 | H3 | sing | 1.10Å | 1.10Å | |
| C3 | H4 | sing | 1.10Å | 1.10Å | |
| N2 | C4 | sing | 1.45Å | 1.47Å | |
| N2 | H5 | sing | 0.99Å | 1.00Å | |
| C4 | C5 | sing | 1.50Å | 1.51Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | H6 | sing | 1.11Å | 1.10Å | |
| C5 | O3 | doub | 1.23Å | 1.24Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| N3 | C7 | sing | 1.46Å | 1.45Å | |
| N3 | C10 | sing | 1.46Å | 1.48Å | |
| C7 | C8 | sing | 1.53Å | 1.57Å | |
| C7 | C11 | sing | 1.49Å | 1.51Å | |
| C7 | H10 | sing | 1.12Å | 1.10Å | |
| C8 | S1 | sing | 1.81Å | 1.82Å | |
| C8 | H11 | sing | 1.10Å | 1.10Å | |
| S1 | C9 | sing | 1.81Å | 1.80Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | O4 | doub | 1.25Å | 1.23Å | |
| N4 | C12 | sing | 1.47Å | 1.47Å | |
| N4 | C13 | sing | 1.46Å | 1.46Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C17 | sing | 1.51Å | 1.53Å | |
| C13 | H21 | sing | 1.11Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.51Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C17 | O5 | doub | 1.20Å | 1.20Å | |
| N5 | C18 | sing | 1.47Å | 1.45Å | |
| N5 | H29 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | O6 | doub | 1.21Å | 1.24Å | |
| C20 | O7 | sing | 1.44Å | 1.44Å | |
| C20 | H31 | sing | 1.10Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| N6 | C21 | sing | 1.45Å | 1.47Å | |
| N6 | H33 | sing | 0.99Å | 1.00Å | |
| C21 | C22 | sing | 1.50Å | 1.53Å | |
| C21 | C23 | sing | 1.53Å | 1.51Å | |
| C21 | H34 | sing | 1.10Å | 1.10Å | |
| C22 | O8 | doub | 1.22Å | 1.22Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| N7 | C24 | sing | 1.47Å | 1.46Å | |
| N7 | C26 | sing | 1.46Å | 1.49Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C24 | C27 | sing | 1.50Å | 1.53Å | |
| C24 | H38 | sing | 1.10Å | 1.10Å | |
| C25 | S2 | sing | 1.80Å | 1.82Å | |
| C25 | H39 | sing | 1.10Å | 1.10Å | |
| C25 | H40 | sing | 1.09Å | 1.10Å | |
| C26 | H41 | sing | 1.09Å | 1.10Å | |
| C26 | H42 | sing | 1.09Å | 1.10Å | |
| C26 | H43 | sing | 1.09Å | 1.10Å | |
| C27 | O9 | doub | 1.21Å | 1.24Å | |
| N8 | C28 | sing | 1.47Å | 1.47Å | |
| N8 | C29 | sing | 1.46Å | 1.47Å | |
| C28 | H44 | sing | 1.09Å | 1.10Å | |
| C28 | H45 | sing | 1.09Å | 1.10Å | |
| C28 | H46 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C29 | C33 | sing | 1.50Å | 1.52Å | |
| C29 | H47 | sing | 1.10Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C32 | sing | 1.53Å | 1.52Å | |
| C30 | H48 | sing | 1.09Å | 1.10Å | |
| C31 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H50 | sing | 1.09Å | 1.10Å | |
| C31 | H51 | sing | 1.09Å | 1.10Å | |
| C32 | H52 | sing | 1.09Å | 1.10Å | |
| C32 | H53 | sing | 1.09Å | 1.10Å | |
| C32 | H54 | sing | 1.09Å | 1.10Å | |
| C33 | O10 | doub | 1.21Å | 1.20Å | |
| N9 | C34 | doub | 1.32Å | 1.32Å | Aromatic |
| N9 | C40 | sing | 1.33Å | 1.35Å | Aromatic |
| C34 | C35 | sing | 1.41Å | 1.42Å | Aromatic |
| C34 | C42 | sing | 1.48Å | 1.48Å | |
| C35 | N10 | doub | 1.31Å | 1.30Å | Aromatic |
| C35 | H55 | sing | 1.08Å | 1.08Å | |
| N10 | C41 | sing | 1.34Å | 1.38Å | Aromatic |
| C36 | C37 | doub | 1.36Å | 1.36Å | Aromatic |
| C36 | C41 | sing | 1.41Å | 1.43Å | Aromatic |
| C36 | H56 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.40Å | 1.43Å | Aromatic |
| C37 | H57 | sing | 1.08Å | 1.08Å | |
| C38 | C39 | doub | 1.36Å | 1.36Å | Aromatic |
| C38 | H58 | sing | 1.08Å | 1.08Å | |
| C39 | C40 | sing | 1.41Å | 1.43Å | Aromatic |
| C39 | H59 | sing | 1.08Å | 1.08Å | |
| C40 | C41 | doub | 1.42Å | 1.42Å | Aromatic |
| C42 | O11 | doub | 1.22Å | 1.22Å | |
| N11 | C43 | doub | 1.32Å | 1.33Å | Aromatic |
| N11 | C49 | sing | 1.33Å | 1.36Å | Aromatic |
| C43 | C44 | sing | 1.41Å | 1.42Å | Aromatic |
| C43 | C51 | sing | 1.48Å | 1.48Å | |
| C44 | N12 | doub | 1.31Å | 1.30Å | Aromatic |
| C44 | H60 | sing | 1.08Å | 1.08Å | |
| N12 | C50 | sing | 1.34Å | 1.38Å | Aromatic |
| C45 | C46 | doub | 1.36Å | 1.37Å | Aromatic |
| C45 | C50 | sing | 1.41Å | 1.42Å | Aromatic |
| C45 | H61 | sing | 1.08Å | 1.08Å | |
| C46 | C47 | sing | 1.39Å | 1.42Å | Aromatic |
| C46 | H62 | sing | 1.08Å | 1.08Å | |
| C47 | C48 | doub | 1.36Å | 1.38Å | Aromatic |
| C47 | H63 | sing | 1.08Å | 1.08Å | |
| C48 | C49 | sing | 1.41Å | 1.42Å | Aromatic |
| C48 | H64 | sing | 1.08Å | 1.08Å | |
| C49 | C50 | doub | 1.42Å | 1.43Å | Aromatic |
| C51 | O12 | doub | 1.22Å | 1.22Å | |
| C2 | N2 | sing | 1.34Å | 1.33Å | |
| O2 | C33 | sing | 1.34Å | 1.33Å | |
| C5 | N3 | sing | 1.35Å | 1.34Å | |
| C11 | N4 | sing | 1.33Å | 1.35Å | |
| C8 | S2 | sing | 1.81Å | 1.80Å | |
| C17 | O7 | sing | 1.35Å | 1.31Å | |
| C19 | N6 | sing | 1.34Å | 1.32Å | |
| C22 | N7 | sing | 1.35Å | 1.33Å | |
| C27 | N8 | sing | 1.35Å | 1.33Å | |
| N1 | C42 | sing | 1.35Å | 1.36Å | |
| N5 | C51 | sing | 1.35Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | H1 | 118.7° | 120.0° |
| N1 | C1 | C2 | 110.8° | 109.2° |
| N1 | C1 | C3 | 110.9° | 109.8° |
| N1 | C1 | H2 | 108.5° | 109.3° |
| C1 | N1 | C42 | 122.6° | 120.0° |
| H1 | N1 | C42 | 118.7° | 120.0° |
| C2 | C1 | C3 | 111.4° | 110.5° |
| C2 | C1 | H2 | 107.6° | 108.7° |
| C1 | C2 | O1 | 116.6° | 119.4° |
| C1 | C2 | N2 | 119.8° | 118.3° |
| C3 | C1 | H2 | 107.4° | 109.2° |
| C1 | C3 | O2 | 113.2° | 111.7° |
| C1 | C3 | H3 | 108.5° | 109.2° |
| C1 | C3 | H4 | 108.5° | 109.1° |
| O1 | C2 | N2 | 123.6° | 122.3° |
| O2 | C3 | H3 | 108.5° | 109.2° |
| O2 | C3 | H4 | 108.5° | 109.5° |
| C3 | O2 | C33 | 119.7° | 118.8° |
| H3 | C3 | H4 | 109.5° | 108.1° |
| C4 | N2 | H5 | 120.1° | 118.3° |
| N2 | C4 | C5 | 109.9° | 112.0° |
| N2 | C4 | C6 | 113.0° | 111.6° |
| N2 | C4 | H6 | 108.4° | 108.1° |
| C4 | N2 | C2 | 119.8° | 125.2° |
| H5 | N2 | C2 | 120.1° | 116.5° |
| C5 | C4 | C6 | 109.7° | 109.7° |
| C5 | C4 | H6 | 107.9° | 107.8° |
| C4 | C5 | O3 | 118.6° | 117.3° |
| C4 | C5 | N3 | 120.8° | 125.6° |
| C6 | C4 | H6 | 107.9° | 107.5° |
| C4 | C6 | H7 | 109.5° | 109.4° |
| C4 | C6 | H8 | 109.4° | 109.5° |
| C4 | C6 | H9 | 109.5° | 109.4° |
| O3 | C5 | N3 | 120.6° | 117.1° |
| H7 | C6 | H8 | 109.5° | 109.5° |
| H7 | C6 | H9 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| C7 | N3 | C10 | 114.9° | 122.1° |
| N3 | C7 | C8 | 108.1° | 112.1° |
| N3 | C7 | C11 | 110.0° | 116.5° |
| N3 | C7 | H10 | 109.7° | 105.3° |
| C7 | N3 | C5 | 120.6° | 117.4° |
| N3 | C10 | H15 | 109.5° | 109.4° |
| N3 | C10 | H16 | 109.5° | 109.5° |
| N3 | C10 | H17 | 109.5° | 109.4° |
| C10 | N3 | C5 | 124.4° | 120.6° |
| C8 | C7 | C11 | 112.0° | 111.7° |
| C8 | C7 | H10 | 108.2° | 104.8° |
| C7 | C8 | S1 | 111.9° | 110.1° |
| C7 | C8 | H11 | 107.2° | 108.2° |
| C7 | C8 | S2 | 110.4° | 110.4° |
| C11 | C7 | H10 | 108.9° | 105.2° |
| C7 | C11 | O4 | 121.5° | 113.7° |
| C7 | C11 | N4 | 118.4° | 130.8° |
| S1 | C8 | H11 | 104.8° | 108.5° |
| C8 | S1 | C9 | 96.6° | 103.0° |
| S1 | C8 | S2 | 116.7° | 110.4° |
| H11 | C8 | S2 | 105.0° | 109.1° |
| S1 | C9 | H12 | 109.5° | 109.4° |
| S1 | C9 | H13 | 109.5° | 109.5° |
| S1 | C9 | H14 | 109.5° | 109.4° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H12 | C9 | H14 | 109.4° | 109.5° |
| H13 | C9 | H14 | 109.4° | 109.5° |
| H15 | C10 | H16 | 109.5° | 109.5° |
| H15 | C10 | H17 | 109.4° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.5° |
| O4 | C11 | N4 | 120.1° | 115.2° |
| C12 | N4 | C13 | 122.6° | 116.6° |
| N4 | C12 | H18 | 109.5° | 109.5° |
| N4 | C12 | H19 | 109.4° | 109.5° |
| N4 | C12 | H20 | 109.5° | 109.4° |
| C12 | N4 | C11 | 118.9° | 119.7° |
| N4 | C13 | C14 | 117.4° | 112.9° |
| N4 | C13 | C17 | 111.2° | 113.3° |
| N4 | C13 | H21 | 107.6° | 106.8° |
| C13 | N4 | C11 | 116.8° | 123.7° |
| H18 | C12 | H19 | 109.5° | 109.5° |
| H18 | C12 | H20 | 109.5° | 109.5° |
| H19 | C12 | H20 | 109.5° | 109.5° |
| C14 | C13 | C17 | 106.9° | 108.8° |
| C14 | C13 | H21 | 106.5° | 107.5° |
| C13 | C14 | C15 | 110.1° | 109.5° |
| C13 | C14 | C16 | 107.9° | 109.4° |
| C13 | C14 | H22 | 107.7° | 109.5° |
| C17 | C13 | H21 | 106.8° | 107.2° |
| C13 | C17 | O5 | 121.8° | 122.0° |
| C13 | C17 | O7 | 114.7° | 118.6° |
| C15 | C14 | C16 | 114.7° | 109.5° |
| C15 | C14 | H22 | 108.2° | 109.5° |
| C14 | C15 | H23 | 109.5° | 109.5° |
| C14 | C15 | H24 | 109.4° | 109.5° |
| C14 | C15 | H25 | 109.5° | 109.5° |
| C16 | C14 | H22 | 108.0° | 109.5° |
| C14 | C16 | H26 | 109.5° | 109.5° |
| C14 | C16 | H27 | 109.5° | 109.5° |
| C14 | C16 | H28 | 109.5° | 109.5° |
| H23 | C15 | H24 | 109.5° | 109.4° |
| H23 | C15 | H25 | 109.5° | 109.5° |
| H24 | C15 | H25 | 109.5° | 109.5° |
| H26 | C16 | H27 | 109.4° | 109.5° |
| H26 | C16 | H28 | 109.5° | 109.5° |
| H27 | C16 | H28 | 109.5° | 109.4° |
| O5 | C17 | O7 | 123.5° | 119.4° |
| C18 | N5 | H29 | 117.0° | 120.0° |
| N5 | C18 | C19 | 112.9° | 109.1° |
| N5 | C18 | C20 | 108.8° | 109.7° |
| N5 | C18 | H30 | 109.3° | 109.3° |
| C18 | N5 | C51 | 126.0° | 120.0° |
| H29 | N5 | C51 | 117.0° | 120.0° |
| C19 | C18 | C20 | 109.0° | 110.3° |
| C19 | C18 | H30 | 108.4° | 109.0° |
| C18 | C19 | O6 | 120.6° | 118.4° |
| C18 | C19 | N6 | 116.1° | 119.0° |
| C20 | C18 | H30 | 108.4° | 109.5° |
| C18 | C20 | O7 | 109.8° | 111.7° |
| C18 | C20 | H31 | 109.4° | 108.4° |
| C18 | C20 | H32 | 109.4° | 109.3° |
| O6 | C19 | N6 | 123.3° | 122.5° |
| O7 | C20 | H31 | 109.4° | 109.2° |
| O7 | C20 | H32 | 109.4° | 110.2° |
| C20 | O7 | C17 | 117.1° | 119.0° |
| H31 | C20 | H32 | 109.5° | 108.0° |
| C21 | N6 | H33 | 119.3° | 118.1° |
| N6 | C21 | C22 | 108.0° | 111.8° |
| N6 | C21 | C23 | 113.2° | 112.0° |
| N6 | C21 | H34 | 109.3° | 108.5° |
| C21 | N6 | C19 | 121.3° | 125.4° |
| H33 | N6 | C19 | 119.3° | 116.4° |
| C22 | C21 | C23 | 108.9° | 109.1° |
| C22 | C21 | H34 | 108.6° | 107.7° |
| C21 | C22 | O8 | 119.3° | 117.5° |
| C21 | C22 | N7 | 116.4° | 124.6° |
| C23 | C21 | H34 | 108.7° | 107.5° |
| C21 | C23 | H35 | 109.5° | 109.5° |
| C21 | C23 | H36 | 109.5° | 109.5° |
| C21 | C23 | H37 | 109.5° | 109.5° |
| O8 | C22 | N7 | 124.3° | 117.9° |
| H35 | C23 | H36 | 109.5° | 109.4° |
| H35 | C23 | H37 | 109.5° | 109.5° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| C24 | N7 | C26 | 118.2° | 118.9° |
| N7 | C24 | C25 | 111.7° | 110.2° |
| N7 | C24 | C27 | 109.0° | 111.1° |
| N7 | C24 | H38 | 109.4° | 107.6° |
| C24 | N7 | C22 | 120.3° | 119.1° |
| N7 | C26 | H41 | 109.5° | 109.5° |
| N7 | C26 | H42 | 109.5° | 109.5° |
| N7 | C26 | H43 | 109.5° | 109.5° |
| C26 | N7 | C22 | 121.1° | 122.0° |
| C25 | C24 | C27 | 109.4° | 112.4° |
| C25 | C24 | H38 | 108.9° | 107.1° |
| C24 | C25 | S2 | 112.2° | 111.6° |
| C24 | C25 | H39 | 108.8° | 108.4° |
| C24 | C25 | H40 | 108.8° | 109.7° |
| C27 | C24 | H38 | 108.5° | 108.2° |
| C24 | C27 | O9 | 116.8° | 120.4° |
| C24 | C27 | N8 | 119.8° | 121.5° |
| S2 | C25 | H39 | 108.8° | 108.9° |
| S2 | C25 | H40 | 108.8° | 110.6° |
| C25 | S2 | C8 | 103.3° | 105.0° |
| H39 | C25 | H40 | 109.5° | 107.4° |
| H41 | C26 | H42 | 109.5° | 109.5° |
| H41 | C26 | H43 | 109.5° | 109.5° |
| H42 | C26 | H43 | 109.5° | 109.5° |
| O9 | C27 | N8 | 123.4° | 118.1° |
| C28 | N8 | C29 | 119.2° | 118.5° |
| N8 | C28 | H44 | 109.5° | 109.4° |
| N8 | C28 | H45 | 109.4° | 109.5° |
| N8 | C28 | H46 | 109.5° | 109.4° |
| C28 | N8 | C27 | 123.8° | 120.5° |
| N8 | C29 | C30 | 114.8° | 110.5° |
| N8 | C29 | C33 | 109.3° | 112.0° |
| N8 | C29 | H47 | 107.4° | 107.7° |
| C29 | N8 | C27 | 116.8° | 120.9° |
| H44 | C28 | H45 | 109.5° | 109.5° |
| H44 | C28 | H46 | 109.5° | 109.5° |
| H45 | C28 | H46 | 109.5° | 109.5° |
| C30 | C29 | C33 | 111.3° | 110.0° |
| C30 | C29 | H47 | 106.8° | 108.5° |
| C29 | C30 | C31 | 110.8° | 109.5° |
| C29 | C30 | C32 | 115.1° | 109.4° |
| C29 | C30 | H48 | 108.5° | 109.5° |
| C33 | C29 | H47 | 106.8° | 107.9° |
| C29 | C33 | O10 | 124.5° | 120.3° |
| C29 | C33 | O2 | 112.0° | 120.2° |
| C31 | C30 | C32 | 104.9° | 109.5° |
| C31 | C30 | H48 | 108.5° | 109.5° |
| C30 | C31 | H49 | 109.5° | 109.5° |
| C30 | C31 | H50 | 109.5° | 109.5° |
| C30 | C31 | H51 | 109.4° | 109.4° |
| C32 | C30 | H48 | 108.7° | 109.4° |
| C30 | C32 | H52 | 109.5° | 109.5° |
| C30 | C32 | H53 | 109.5° | 109.5° |
| C30 | C32 | H54 | 109.5° | 109.5° |
| H49 | C31 | H50 | 109.4° | 109.5° |
| H49 | C31 | H51 | 109.4° | 109.5° |
| H50 | C31 | H51 | 109.5° | 109.5° |
| H52 | C32 | H53 | 109.5° | 109.5° |
| H52 | C32 | H54 | 109.4° | 109.5° |
| H53 | C32 | H54 | 109.5° | 109.4° |
| O10 | C33 | O2 | 123.6° | 119.6° |
| C34 | N9 | C40 | 116.6° | 119.7° |
| N9 | C34 | C35 | 122.7° | 120.5° |
| N9 | C34 | C42 | 118.9° | 119.7° |
| N9 | C40 | C39 | 117.9° | 121.0° |
| N9 | C40 | C41 | 120.5° | 119.7° |
| C35 | C34 | C42 | 118.4° | 119.8° |
| C34 | C35 | N10 | 122.5° | 120.6° |
| C34 | C35 | H55 | 118.8° | 119.7° |
| C34 | C42 | O11 | 124.0° | 120.0° |
| C34 | C42 | N1 | 112.9° | 120.0° |
| N10 | C35 | H55 | 118.7° | 119.7° |
| C35 | N10 | C41 | 115.6° | 119.8° |
| N10 | C41 | C36 | 119.0° | 121.0° |
| N10 | C41 | C40 | 121.6° | 119.7° |
| C37 | C36 | C41 | 119.2° | 119.8° |
| C37 | C36 | H56 | 120.4° | 120.1° |
| C36 | C37 | C38 | 119.5° | 121.0° |
| C36 | C37 | H57 | 120.3° | 119.5° |
| C41 | C36 | H56 | 120.4° | 120.1° |
| C36 | C41 | C40 | 119.1° | 119.3° |
| C38 | C37 | H57 | 120.2° | 119.5° |
| C37 | C38 | C39 | 123.4° | 121.0° |
| C37 | C38 | H58 | 118.3° | 119.5° |
| C39 | C38 | H58 | 118.3° | 119.5° |
| C38 | C39 | C40 | 115.9° | 119.7° |
| C38 | C39 | H59 | 122.0° | 120.1° |
| C40 | C39 | H59 | 122.1° | 120.2° |
| C39 | C40 | C41 | 121.4° | 119.3° |
| O11 | C42 | N1 | 123.1° | 120.0° |
| C43 | N11 | C49 | 116.6° | 119.7° |
| N11 | C43 | C44 | 122.5° | 120.5° |
| N11 | C43 | C51 | 119.7° | 119.7° |
| N11 | C49 | C48 | 119.0° | 121.1° |
| N11 | C49 | C50 | 120.5° | 119.7° |
| C44 | C43 | C51 | 117.7° | 119.7° |
| C43 | C44 | N12 | 122.3° | 120.5° |
| C43 | C44 | H60 | 118.8° | 119.7° |
| C43 | C51 | O12 | 125.7° | 120.0° |
| C43 | C51 | N5 | 113.6° | 120.0° |
| N12 | C44 | H60 | 118.8° | 119.7° |
| C44 | N12 | C50 | 116.8° | 119.8° |
| N12 | C50 | C45 | 119.6° | 120.9° |
| N12 | C50 | C49 | 120.9° | 119.8° |
| C46 | C45 | C50 | 119.8° | 119.7° |
| C46 | C45 | H61 | 120.1° | 120.1° |
| C45 | C46 | C47 | 120.6° | 121.0° |
| C45 | C46 | H62 | 119.7° | 119.5° |
| C50 | C45 | H61 | 120.1° | 120.2° |
| C45 | C50 | C49 | 118.9° | 119.3° |
| C47 | C46 | H62 | 119.7° | 119.5° |
| C46 | C47 | C48 | 121.3° | 121.0° |
| C46 | C47 | H63 | 119.4° | 119.5° |
| C48 | C47 | H63 | 119.3° | 119.5° |
| C47 | C48 | C49 | 118.3° | 119.7° |
| C47 | C48 | H64 | 120.8° | 120.2° |
| C49 | C48 | H64 | 120.8° | 120.1° |
| C48 | C49 | C50 | 120.5° | 119.3° |
| O12 | C51 | N5 | 120.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | H1 | C42 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 124.0° | 120.9° |
| N1 | C1 | C2 | H2 | 118.5° | 119.2° |
| N1 | C1 | C3 | H2 | 118.4° | 119.9° |
| N1 | C1 | C2 | O1 | 154.0° | 79.1° |
| N1 | C1 | C3 | O2 | 61.2° | 164.4° |
| N1 | C1 | C3 | H3 | 59.3° | 43.5° |
| N1 | C1 | C3 | H4 | 178.2° | 74.5° |
| C1 | N1 | C42 | C34 | 166.5° | 180.0° |
| C1 | N1 | C42 | O11 | 15.9° | 0.0° |
| N1 | C1 | C2 | N2 | 28.3° | 98.5° |
| H1 | N1 | C1 | C2 | 71.1° | 95.0° |
| H1 | N1 | C1 | C3 | 53.2° | 26.3° |
| H1 | N1 | C1 | H2 | 170.9° | 146.2° |
| H1 | N1 | C42 | C34 | 13.5° | 0.2° |
| H1 | N1 | C42 | O11 | 164.1° | 179.8° |
| C2 | C1 | C3 | H2 | 117.6° | 119.6° |
| C1 | C2 | O1 | N2 | 177.6° | 177.5° |
| C2 | C1 | C3 | O2 | 62.7° | 43.8° |
| C2 | C1 | C3 | H3 | 176.7° | 77.0° |
| C2 | C1 | C3 | H4 | 57.8° | 165.0° |
| C1 | C2 | N2 | C4 | 177.2° | 160.1° |
| C1 | C2 | N2 | H5 | 2.8° | 22.1° |
| C2 | C1 | N1 | C42 | 108.9° | 85.3° |
| C3 | C1 | C2 | O1 | 30.0° | 41.8° |
| C1 | C3 | O2 | H3 | 120.5° | 120.9° |
| C1 | C3 | O2 | H4 | 120.6° | 120.9° |
| C1 | C3 | H3 | H4 | 118.3° | 118.6° |
| C3 | C1 | C2 | N2 | 152.3° | 140.6° |
| C1 | C3 | O2 | C33 | 105.0° | 95.2° |
| C3 | C1 | N1 | C42 | 126.8° | 153.4° |
| H2 | C1 | C2 | O1 | 87.5° | 161.6° |
| H2 | C1 | C3 | O2 | 179.6° | 75.7° |
| H2 | C1 | C3 | H3 | 59.1° | 163.4° |
| H2 | C1 | C3 | H4 | 59.8° | 45.4° |
| H2 | C1 | C2 | N2 | 90.2° | 20.8° |
| H2 | C1 | N1 | C42 | 9.1° | 33.6° |
| O1 | C2 | N2 | C4 | 5.3° | 22.3° |
| O1 | C2 | N2 | H5 | 174.7° | 155.5° |
| O2 | C3 | H3 | H4 | 118.3° | 119.0° |
| C3 | O2 | C33 | C29 | 168.9° | 152.5° |
| C3 | O2 | C33 | O10 | 10.7° | 27.7° |
| H3 | C3 | O2 | C33 | 15.5° | 143.9° |
| H4 | C3 | O2 | C33 | 134.4° | 25.7° |
| C4 | N2 | H5 | C2 | 180.0° | 177.9° |
| N2 | C4 | C5 | C6 | 124.7° | 124.4° |
| N2 | C4 | C5 | H6 | 118.0° | 118.8° |
| N2 | C4 | C6 | H6 | 119.8° | 118.4° |
| N2 | C4 | C5 | O3 | 23.5° | 124.9° |
| N2 | C4 | C6 | H7 | 180.0° | 60.0° |
| N2 | C4 | C6 | H8 | 60.0° | 179.9° |
| N2 | C4 | C6 | H9 | 60.0° | 60.0° |
| N2 | C4 | C5 | N3 | 156.8° | 55.3° |
| H5 | N2 | C4 | C5 | 111.4° | 25.9° |
| H5 | N2 | C4 | C6 | 11.4° | 149.3° |
| H5 | N2 | C4 | H6 | 130.8° | 92.7° |
| C5 | C4 | C6 | H6 | 117.3° | 117.0° |
| C4 | C5 | O3 | N3 | 179.7° | 179.8° |
| C5 | C4 | C6 | H7 | 57.1° | 64.6° |
| C5 | C4 | C6 | H8 | 177.1° | 55.4° |
| C5 | C4 | C6 | H9 | 62.9° | 175.3° |
| C4 | C5 | N3 | C7 | 175.8° | 152.7° |
| C4 | C5 | N3 | C10 | 0.6° | 28.0° |
| C5 | C4 | N2 | C2 | 68.6° | 156.3° |
| C6 | C4 | C5 | O3 | 101.2° | 110.7° |
| C4 | C6 | H7 | H8 | 120.0° | 120.0° |
| C4 | C6 | H7 | H9 | 120.0° | 120.0° |
| C4 | C6 | H8 | H9 | 120.0° | 119.9° |
| C6 | C4 | N2 | C2 | 168.6° | 33.0° |
| C6 | C4 | C5 | N3 | 78.5° | 69.1° |
| H6 | C4 | C5 | O3 | 141.5° | 6.1° |
| H6 | C4 | C6 | H7 | 60.2° | 178.4° |
| H6 | C4 | C6 | H8 | 59.8° | 61.6° |
| H6 | C4 | C6 | H9 | 179.8° | 58.3° |
| H6 | C4 | N2 | C2 | 49.1° | 85.0° |
| H6 | C4 | C5 | N3 | 38.8° | 174.1° |
| O3 | C5 | N3 | C7 | 3.9° | 27.1° |
| O3 | C5 | N3 | C10 | 179.8° | 152.2° |
| H7 | C6 | H8 | H9 | 120.0° | 120.1° |
| C7 | N3 | C10 | C5 | 176.6° | 179.3° |
| N3 | C7 | C8 | C11 | 121.3° | 132.8° |
| N3 | C7 | C8 | H10 | 118.7° | 113.7° |
| N3 | C7 | C11 | H10 | 120.2° | 116.2° |
| N3 | C7 | C8 | S1 | 24.1° | 115.1° |
| N3 | C7 | C8 | H11 | 90.3° | 126.4° |
| C7 | N3 | C10 | H15 | 180.0° | 143.5° |
| C7 | N3 | C10 | H16 | 60.0° | 23.5° |
| C7 | N3 | C10 | H17 | 60.0° | 96.5° |
| N3 | C7 | C11 | O4 | 116.1° | 165.9° |
| N3 | C7 | C11 | N4 | 63.5° | 7.5° |
| N3 | C7 | C8 | S2 | 155.9° | 7.1° |
| C10 | N3 | C7 | C8 | 72.7° | 70.8° |
| C10 | N3 | C7 | C11 | 49.9° | 59.6° |
| C10 | N3 | C7 | H10 | 169.6° | 175.8° |
| N3 | C10 | H15 | H16 | 120.0° | 120.0° |
| N3 | C10 | H15 | H17 | 120.0° | 119.9° |
| N3 | C10 | H16 | H17 | 120.0° | 119.9° |
| C8 | C7 | C11 | H10 | 119.6° | 113.2° |
| C7 | C8 | S1 | H11 | 115.9° | 118.2° |
| C7 | C8 | S1 | S2 | 128.5° | 122.2° |
| C7 | C8 | H11 | S2 | 117.4° | 120.2° |
| C7 | C8 | S1 | C9 | 163.7° | 144.5° |
| C8 | C7 | C11 | O4 | 4.1° | 63.5° |
| C7 | C8 | S2 | C25 | 97.3° | 153.2° |
| C8 | C7 | N3 | C5 | 110.6° | 109.9° |
| C8 | C7 | C11 | N4 | 176.3° | 123.2° |
| C11 | C7 | C8 | S1 | 145.5° | 17.7° |
| C11 | C7 | C8 | H11 | 31.0° | 100.7° |
| C7 | C11 | O4 | N4 | 179.5° | 174.5° |
| C7 | C11 | N4 | C12 | 17.1° | 51.7° |
| C7 | C11 | N4 | C13 | 177.3° | 130.7° |
| C11 | C7 | N3 | C5 | 126.8° | 119.7° |
| C11 | C7 | C8 | S2 | 82.8° | 139.9° |
| H10 | C7 | C8 | S1 | 94.5° | 131.1° |
| H10 | C7 | C8 | H11 | 151.0° | 12.7° |
| H10 | C7 | C11 | O4 | 123.7° | 49.7° |
| H10 | C7 | N3 | C5 | 7.1° | 3.5° |
| H10 | C7 | C11 | N4 | 56.8° | 123.7° |
| H10 | C7 | C8 | S2 | 37.2° | 106.6° |
| S1 | C8 | H11 | S2 | 123.5° | 120.4° |
| C8 | S1 | C9 | H12 | 180.0° | 58.2° |
| C8 | S1 | C9 | H13 | 60.0° | 61.8° |
| C8 | S1 | C9 | H14 | 60.0° | 178.2° |
| S1 | C8 | S2 | C25 | 31.9° | 31.2° |
| H11 | C8 | S1 | C9 | 47.8° | 26.2° |
| H11 | C8 | S2 | C25 | 147.4° | 88.0° |
| S1 | C9 | H12 | H13 | 120.0° | 120.0° |
| S1 | C9 | H12 | H14 | 120.0° | 119.9° |
| S1 | C9 | H13 | H14 | 120.0° | 120.0° |
| C9 | S1 | C8 | S2 | 67.8° | 93.3° |
| H12 | C9 | H13 | H14 | 120.0° | 120.1° |
| H15 | C10 | H16 | H17 | 120.0° | 120.1° |
| H15 | C10 | N3 | C5 | 3.4° | 35.8° |
| H16 | C10 | N3 | C5 | 116.6° | 155.8° |
| H17 | C10 | N3 | C5 | 123.4° | 84.2° |
| O4 | C11 | N4 | C12 | 163.4° | 121.6° |
| O4 | C11 | N4 | C13 | 2.3° | 56.0° |
| C12 | N4 | C13 | C11 | 165.1° | 177.7° |
| N4 | C12 | H18 | H19 | 120.0° | 120.1° |
| N4 | C12 | H18 | H20 | 120.0° | 119.9° |
| N4 | C12 | H19 | H20 | 120.0° | 120.0° |
| C12 | N4 | C13 | C14 | 33.2° | 167.5° |
| C12 | N4 | C13 | C17 | 90.3° | 68.2° |
| C12 | N4 | C13 | H21 | 153.2° | 49.6° |
| C13 | N4 | C12 | H18 | 180.0° | 177.8° |
| C13 | N4 | C12 | H19 | 60.0° | 57.8° |
| C13 | N4 | C12 | H20 | 60.0° | 62.2° |
| N4 | C13 | C14 | C17 | 125.6° | 126.7° |
| N4 | C13 | C14 | H21 | 120.5° | 117.5° |
| N4 | C13 | C17 | H21 | 117.0° | 117.6° |
| N4 | C13 | C14 | C15 | 169.6° | 167.3° |
| N4 | C13 | C14 | C16 | 64.5° | 72.7° |
| N4 | C13 | C14 | H22 | 51.8° | 47.3° |
| N4 | C13 | C17 | O5 | 147.8° | 29.0° |
| N4 | C13 | C17 | O7 | 33.2° | 150.7° |
| H18 | C12 | H19 | H20 | 120.0° | 120.0° |
| H18 | C12 | N4 | C11 | 15.2° | 0.1° |
| H19 | C12 | N4 | C11 | 104.8° | 120.0° |
| H20 | C12 | N4 | C11 | 135.2° | 120.0° |
| C14 | C13 | C17 | H21 | 113.6° | 115.9° |
| C13 | C14 | C15 | C16 | 121.9° | 120.0° |
| C13 | C14 | C15 | H22 | 117.4° | 120.0° |
| C13 | C14 | C16 | H22 | 116.2° | 120.0° |
| C13 | C14 | C15 | H23 | 180.0° | 22.2° |
| C13 | C14 | C15 | H24 | 60.0° | 142.1° |
| C13 | C14 | C15 | H25 | 60.0° | 97.9° |
| C13 | C14 | C16 | H26 | 180.0° | 38.8° |
| C13 | C14 | C16 | H27 | 60.0° | 158.8° |
| C13 | C14 | C16 | H28 | 60.0° | 81.2° |
| C14 | C13 | C17 | O5 | 82.9° | 155.5° |
| C14 | C13 | N4 | C11 | 161.7° | 10.2° |
| C14 | C13 | C17 | O7 | 96.1° | 24.2° |
| C17 | C13 | C14 | C15 | 43.9° | 40.6° |
| C17 | C13 | C14 | C16 | 169.8° | 160.6° |
| C17 | C13 | C14 | H22 | 73.8° | 79.4° |
| C13 | C17 | O5 | O7 | 178.9° | 179.8° |
| C13 | C17 | O7 | C20 | 173.1° | 153.9° |
| C17 | C13 | N4 | C11 | 74.9° | 114.1° |
| H21 | C13 | C14 | C15 | 69.9° | 75.1° |
| H21 | C13 | C14 | C16 | 56.0° | 44.8° |
| H21 | C13 | C14 | H22 | 172.3° | 164.8° |
| H21 | C13 | C17 | O5 | 30.8° | 88.5° |
| H21 | C13 | N4 | C11 | 41.7° | 128.1° |
| H21 | C13 | C17 | O7 | 150.2° | 91.7° |
| C15 | C14 | C16 | H22 | 120.8° | 120.0° |
| C14 | C15 | H23 | H24 | 120.0° | 120.0° |
| C14 | C15 | H23 | H25 | 120.0° | 120.1° |
| C14 | C15 | H24 | H25 | 120.0° | 120.0° |
| C15 | C14 | C16 | H26 | 56.9° | 158.8° |
| C15 | C14 | C16 | H27 | 63.1° | 81.2° |
| C15 | C14 | C16 | H28 | 176.9° | 38.7° |
| C16 | C14 | C15 | H23 | 58.1° | 97.8° |
| C16 | C14 | C15 | H24 | 178.1° | 22.2° |
| C16 | C14 | C15 | H25 | 61.9° | 142.2° |
| C14 | C16 | H26 | H27 | 120.0° | 120.0° |
| C14 | C16 | H26 | H28 | 120.0° | 120.0° |
| C14 | C16 | H27 | H28 | 120.0° | 120.0° |
| H22 | C14 | C15 | H23 | 62.5° | 142.2° |
| H22 | C14 | C15 | H24 | 57.4° | 97.9° |
| H22 | C14 | C15 | H25 | 177.4° | 22.1° |
| H22 | C14 | C16 | H26 | 63.9° | 81.2° |
| H22 | C14 | C16 | H27 | 176.1° | 38.8° |
| H22 | C14 | C16 | H28 | 56.1° | 158.8° |
| H23 | C15 | H24 | H25 | 120.0° | 119.9° |
| H26 | C16 | H27 | H28 | 120.0° | 120.0° |
| O5 | C17 | O7 | C20 | 5.9° | 26.3° |
| C18 | N5 | H29 | C51 | 180.0° | 180.0° |
| N5 | C18 | C19 | C20 | 121.0° | 120.5° |
| N5 | C18 | C19 | H30 | 121.2° | 119.3° |
| N5 | C18 | C20 | H30 | 118.8° | 120.0° |
| N5 | C18 | C19 | O6 | 159.1° | 63.9° |
| N5 | C18 | C20 | O7 | 56.3° | 151.5° |
| N5 | C18 | C20 | H31 | 63.7° | 31.1° |
| N5 | C18 | C20 | H32 | 176.4° | 86.4° |
| C18 | N5 | C51 | C43 | 162.6° | 180.0° |
| C18 | N5 | C51 | O12 | 20.2° | 0.0° |
| N5 | C18 | C19 | N6 | 22.3° | 113.5° |
| H29 | N5 | C18 | C19 | 68.7° | 95.0° |
| H29 | N5 | C18 | C20 | 52.4° | 25.9° |
| H29 | N5 | C18 | H30 | 170.6° | 145.9° |
| H29 | N5 | C51 | C43 | 17.4° | 0.0° |
| H29 | N5 | C51 | O12 | 159.8° | 180.0° |
| C19 | C18 | C20 | H30 | 117.8° | 119.9° |
| C18 | C19 | O6 | N6 | 178.5° | 177.2° |
| C19 | C18 | C20 | O7 | 67.1° | 31.3° |
| C19 | C18 | C20 | H31 | 172.8° | 89.1° |
| C19 | C18 | C20 | H32 | 52.9° | 153.4° |
| C18 | C19 | N6 | C21 | 177.7° | 159.4° |
| C18 | C19 | N6 | H33 | 2.2° | 22.7° |
| C19 | C18 | N5 | C51 | 111.3° | 85.0° |
| C20 | C18 | C19 | O6 | 38.1° | 56.6° |
| C18 | C20 | O7 | H31 | 120.0° | 119.9° |
| C18 | C20 | O7 | H32 | 120.1° | 121.6° |
| C18 | C20 | H31 | H32 | 119.8° | 118.3° |
| C18 | C20 | O7 | C17 | 168.7° | 119.3° |
| C20 | C18 | C19 | N6 | 143.3° | 126.0° |
| C20 | C18 | N5 | C51 | 127.6° | 154.1° |
| H30 | C18 | C19 | O6 | 79.7° | 176.8° |
| H30 | C18 | C20 | O7 | 175.1° | 88.6° |
| H30 | C18 | C20 | H31 | 55.0° | 151.1° |
| H30 | C18 | C20 | H32 | 64.8° | 33.6° |
| H30 | C18 | C19 | N6 | 98.9° | 5.9° |
| H30 | C18 | N5 | C51 | 9.4° | 34.1° |
| O6 | C19 | N6 | C21 | 0.8° | 23.4° |
| O6 | C19 | N6 | H33 | 179.2° | 154.5° |
| O7 | C20 | H31 | H32 | 119.8° | 119.8° |
| H31 | C20 | O7 | C17 | 48.7° | 120.8° |
| H32 | C20 | O7 | C17 | 71.2° | 2.3° |
| C21 | N6 | H33 | C19 | 180.0° | 178.0° |
| N6 | C21 | C22 | C23 | 123.3° | 124.4° |
| N6 | C21 | C22 | H34 | 118.4° | 119.1° |
| N6 | C21 | C23 | H34 | 121.7° | 119.0° |
| N6 | C21 | C22 | O8 | 27.8° | 135.2° |
| N6 | C21 | C23 | H35 | 180.0° | 60.1° |
| N6 | C21 | C23 | H36 | 60.0° | 180.0° |
| N6 | C21 | C23 | H37 | 60.0° | 60.0° |
| N6 | C21 | C22 | N7 | 152.3° | 44.7° |
| H33 | N6 | C21 | C22 | 103.2° | 32.0° |
| H33 | N6 | C21 | C23 | 17.5° | 154.8° |
| H33 | N6 | C21 | H34 | 138.9° | 86.7° |
| C22 | C21 | C23 | H34 | 118.2° | 116.6° |
| C21 | C22 | O8 | N7 | 179.9° | 179.9° |
| C22 | C21 | C23 | H35 | 59.9° | 64.3° |
| C22 | C21 | C23 | H36 | 179.9° | 55.7° |
| C22 | C21 | C23 | H37 | 60.2° | 175.7° |
| C21 | C22 | N7 | C24 | 179.7° | 172.4° |
| C21 | C22 | N7 | C26 | 7.2° | 8.4° |
| C22 | C21 | N6 | C19 | 76.8° | 150.2° |
| C23 | C21 | C22 | O8 | 95.5° | 100.4° |
| C21 | C23 | H35 | H36 | 120.0° | 120.0° |
| C21 | C23 | H35 | H37 | 120.0° | 120.0° |
| C21 | C23 | H36 | H37 | 120.0° | 120.0° |
| C23 | C21 | N6 | C19 | 162.5° | 27.3° |
| C23 | C21 | C22 | N7 | 84.4° | 79.7° |
| H34 | C21 | C22 | O8 | 146.2° | 16.1° |
| H34 | C21 | C23 | H35 | 58.3° | 179.1° |
| H34 | C21 | C23 | H36 | 61.7° | 60.9° |
| H34 | C21 | C23 | H37 | 178.3° | 59.1° |
| H34 | C21 | N6 | C19 | 41.1° | 91.2° |
| H34 | C21 | C22 | N7 | 33.9° | 163.8° |
| O8 | C22 | N7 | C24 | 0.2° | 7.7° |
| O8 | C22 | N7 | C26 | 172.9° | 171.5° |
| H35 | C23 | H36 | H37 | 120.0° | 120.0° |
| C24 | N7 | C26 | C22 | 173.3° | 179.2° |
| N7 | C24 | C25 | C27 | 120.8° | 124.5° |
| N7 | C24 | C25 | H38 | 120.9° | 116.8° |
| N7 | C24 | C27 | H38 | 119.0° | 117.9° |
| N7 | C24 | C25 | S2 | 73.5° | 88.9° |
| N7 | C24 | C25 | H39 | 46.9° | 151.1° |
| N7 | C24 | C25 | H40 | 166.1° | 34.1° |
| C24 | N7 | C26 | H41 | 180.0° | 175.8° |
| C24 | N7 | C26 | H42 | 60.0° | 64.2° |
| C24 | N7 | C26 | H43 | 60.0° | 55.7° |
| N7 | C24 | C27 | O9 | 107.9° | 107.5° |
| N7 | C24 | C27 | N8 | 72.3° | 72.9° |
| C26 | N7 | C24 | C25 | 54.8° | 89.7° |
| C26 | N7 | C24 | C27 | 66.2° | 35.6° |
| C26 | N7 | C24 | H38 | 175.4° | 153.8° |
| N7 | C26 | H41 | H42 | 120.0° | 120.0° |
| N7 | C26 | H41 | H43 | 120.0° | 120.0° |
| N7 | C26 | H42 | H43 | 120.0° | 120.0° |
| C25 | C24 | C27 | H38 | 118.7° | 118.1° |
| C24 | C25 | S2 | H39 | 120.4° | 119.7° |
| C24 | C25 | S2 | H40 | 120.4° | 122.5° |
| C24 | C25 | H39 | H40 | 118.8° | 118.5° |
| C25 | C24 | C27 | O9 | 14.4° | 16.5° |
| C24 | C25 | S2 | C8 | 77.7° | 119.3° |
| C25 | C24 | N7 | C22 | 118.6° | 91.1° |
| C25 | C24 | C27 | N8 | 165.3° | 163.1° |
| C27 | C24 | C25 | S2 | 165.8° | 35.6° |
| C27 | C24 | C25 | H39 | 73.8° | 84.4° |
| C27 | C24 | C25 | H40 | 45.4° | 158.6° |
| C24 | C27 | O9 | N8 | 179.7° | 179.6° |
| C24 | C27 | N8 | C28 | 4.7° | 6.3° |
| C24 | C27 | N8 | C29 | 179.9° | 172.4° |
| C27 | C24 | N7 | C22 | 120.5° | 143.7° |
| H38 | C24 | C25 | S2 | 47.4° | 154.3° |
| H38 | C24 | C25 | H39 | 167.8° | 34.4° |
| H38 | C24 | C25 | H40 | 73.0° | 82.7° |
| H38 | C24 | C27 | O9 | 133.1° | 134.6° |
| H38 | C24 | N7 | C22 | 2.1° | 25.4° |
| H38 | C24 | C27 | N8 | 46.6° | 45.0° |
| S2 | C25 | H39 | H40 | 118.8° | 119.8° |
| H39 | C25 | S2 | C8 | 161.9° | 121.0° |
| H40 | C25 | S2 | C8 | 42.7° | 3.1° |
| H41 | C26 | H42 | H43 | 120.0° | 120.0° |
| H41 | C26 | N7 | C22 | 6.8° | 5.0° |
| H42 | C26 | N7 | C22 | 126.8° | 115.0° |
| H43 | C26 | N7 | C22 | 113.3° | 125.0° |
| O9 | C27 | N8 | C28 | 175.0° | 174.1° |
| O9 | C27 | N8 | C29 | 0.4° | 7.3° |
| C28 | N8 | C29 | C27 | 175.7° | 178.7° |
| N8 | C28 | H44 | H45 | 120.0° | 120.0° |
| N8 | C28 | H44 | H46 | 120.0° | 119.9° |
| N8 | C28 | H45 | H46 | 120.0° | 119.9° |
| C28 | N8 | C29 | C30 | 67.9° | 117.4° |
| C28 | N8 | C29 | C33 | 57.9° | 119.4° |
| C28 | N8 | C29 | H47 | 173.4° | 1.0° |
| C29 | N8 | C28 | H44 | 180.0° | 178.7° |
| C29 | N8 | C28 | H45 | 60.0° | 58.7° |
| C29 | N8 | C28 | H46 | 60.0° | 61.3° |
| N8 | C29 | C30 | C33 | 124.9° | 124.3° |
| N8 | C29 | C30 | H47 | 119.0° | 117.9° |
| N8 | C29 | C33 | H47 | 115.9° | 118.4° |
| N8 | C29 | C30 | C31 | 156.8° | 172.6° |
| N8 | C29 | C30 | C32 | 37.9° | 52.6° |
| N8 | C29 | C30 | H48 | 84.1° | 67.3° |
| N8 | C29 | C33 | O10 | 134.4° | 44.1° |
| N8 | C29 | C33 | O2 | 45.9° | 135.8° |
| H44 | C28 | H45 | H46 | 120.0° | 120.1° |
| H44 | C28 | N8 | C27 | 4.7° | 0.0° |
| H45 | C28 | N8 | C27 | 115.4° | 120.0° |
| H46 | C28 | N8 | C27 | 124.7° | 120.0° |
| C30 | C29 | C33 | H47 | 116.2° | 118.2° |
| C29 | C30 | C31 | C32 | 124.9° | 120.0° |
| C29 | C30 | C31 | H48 | 119.1° | 120.1° |
| C29 | C30 | C32 | H48 | 122.0° | 120.0° |
| C29 | C30 | C31 | H49 | 180.0° | 59.8° |
| C29 | C30 | C31 | H50 | 60.0° | 179.8° |
| C29 | C30 | C31 | H51 | 60.0° | 60.2° |
| C29 | C30 | C32 | H52 | 180.0° | 60.0° |
| C29 | C30 | C32 | H53 | 60.0° | 180.0° |
| C29 | C30 | C32 | H54 | 60.0° | 60.0° |
| C30 | C29 | C33 | O10 | 6.5° | 167.5° |
| C30 | C29 | C33 | O2 | 173.8° | 12.4° |
| C30 | C29 | N8 | C27 | 116.4° | 61.2° |
| C33 | C29 | C30 | C31 | 78.3° | 63.1° |
| C33 | C29 | C30 | C32 | 162.8° | 176.9° |
| C33 | C29 | C30 | H48 | 40.7° | 56.9° |
| C29 | C33 | O10 | O2 | 179.6° | 179.9° |
| C33 | C29 | N8 | C27 | 117.8° | 61.9° |
| H47 | C29 | C30 | C31 | 37.9° | 54.7° |
| H47 | C29 | C30 | C32 | 81.0° | 65.3° |
| H47 | C29 | C30 | H48 | 156.9° | 174.8° |
| H47 | C29 | C33 | O10 | 109.7° | 74.3° |
| H47 | C29 | C33 | O2 | 70.0° | 105.8° |
| H47 | C29 | N8 | C27 | 2.2° | 179.6° |
| C31 | C30 | C32 | H48 | 115.9° | 120.0° |
| C30 | C31 | H49 | H50 | 120.0° | 120.0° |
| C30 | C31 | H49 | H51 | 120.0° | 120.0° |
| C30 | C31 | H50 | H51 | 120.0° | 120.0° |
| C31 | C30 | C32 | H52 | 57.9° | 180.0° |
| C31 | C30 | C32 | H53 | 62.1° | 60.0° |
| C31 | C30 | C32 | H54 | 177.9° | 60.0° |
| C32 | C30 | C31 | H49 | 55.1° | 60.2° |
| C32 | C30 | C31 | H50 | 175.1° | 59.8° |
| C32 | C30 | C31 | H51 | 64.9° | 179.8° |
| C30 | C32 | H52 | H53 | 120.0° | 120.0° |
| C30 | C32 | H52 | H54 | 120.0° | 120.0° |
| C30 | C32 | H53 | H54 | 120.0° | 120.0° |
| H48 | C30 | C31 | H49 | 60.9° | 179.8° |
| H48 | C30 | C31 | H50 | 59.0° | 60.1° |
| H48 | C30 | C31 | H51 | 179.1° | 59.9° |
| H48 | C30 | C32 | H52 | 58.0° | 60.0° |
| H48 | C30 | C32 | H53 | 178.0° | 60.0° |
| H48 | C30 | C32 | H54 | 62.0° | 180.0° |
| H49 | C31 | H50 | H51 | 120.0° | 120.0° |
| H52 | C32 | H53 | H54 | 120.0° | 120.0° |
| N9 | C34 | C35 | C42 | 179.7° | 180.0° |
| N9 | C34 | C35 | N10 | 3.4° | 0.0° |
| N9 | C34 | C35 | H55 | 176.6° | 180.0° |
| C34 | N9 | C40 | C39 | 176.9° | 180.0° |
| C34 | N9 | C40 | C41 | 0.9° | 0.1° |
| N9 | C34 | C42 | O11 | 175.7° | 180.0° |
| N9 | C34 | C42 | N1 | 6.7° | 0.0° |
| C40 | N9 | C34 | C35 | 0.0° | 0.0° |
| C40 | N9 | C34 | C42 | 179.8° | 180.0° |
| N9 | C40 | C41 | N10 | 4.9° | 0.1° |
| N9 | C40 | C41 | C36 | 179.3° | 180.0° |
| N9 | C40 | C39 | C38 | 175.4° | 180.0° |
| N9 | C40 | C39 | C41 | 176.0° | 179.9° |
| N9 | C40 | C39 | H59 | 4.6° | 0.0° |
| C34 | C35 | N10 | H55 | 180.0° | 180.0° |
| C34 | C35 | N10 | C41 | 7.0° | 0.0° |
| C35 | C34 | C42 | O11 | 4.1° | 0.0° |
| C35 | C34 | C42 | N1 | 173.5° | 180.0° |
| C42 | C34 | C35 | N10 | 176.9° | 180.0° |
| C42 | C34 | C35 | H55 | 3.1° | 0.0° |
| C34 | C42 | O11 | N1 | 177.4° | 180.0° |
| C35 | N10 | C41 | C36 | 177.8° | 180.0° |
| C35 | N10 | C41 | C40 | 7.8° | 0.0° |
| H55 | C35 | N10 | C41 | 173.0° | 180.0° |
| N10 | C41 | C36 | C37 | 179.4° | 180.0° |
| N10 | C41 | C36 | C40 | 174.5° | 180.0° |
| N10 | C41 | C36 | H56 | 0.6° | 0.0° |
| N10 | C41 | C40 | C39 | 179.2° | 180.0° |
| C37 | C36 | C41 | H56 | 180.0° | 180.0° |
| C36 | C37 | C38 | H57 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 13.4° | 0.0° |
| C36 | C37 | C38 | H58 | 166.6° | 180.0° |
| C37 | C36 | C41 | C40 | 4.9° | 0.0° |
| C41 | C36 | C37 | C38 | 8.7° | 0.0° |
| C41 | C36 | C37 | H57 | 171.3° | 180.0° |
| C36 | C41 | C40 | C39 | 4.8° | 0.1° |
| H56 | C36 | C37 | C38 | 171.3° | 179.9° |
| H56 | C36 | C37 | H57 | 8.7° | 0.0° |
| H56 | C36 | C41 | C40 | 175.1° | 179.9° |
| C37 | C38 | C39 | H58 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 12.8° | 0.1° |
| C37 | C38 | C39 | H59 | 167.1° | 179.9° |
| H57 | C37 | C38 | C39 | 166.6° | 180.0° |
| H57 | C37 | C38 | H58 | 13.4° | 0.1° |
| C38 | C39 | C40 | H59 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 8.6° | 0.1° |
| H58 | C38 | C39 | C40 | 167.2° | 180.0° |
| H58 | C38 | C39 | H59 | 12.8° | 0.0° |
| H59 | C39 | C40 | C41 | 171.4° | 179.9° |
| N11 | C43 | C44 | C51 | 176.5° | 180.0° |
| N11 | C43 | C44 | N12 | 1.1° | 0.0° |
| N11 | C43 | C44 | H60 | 179.0° | 179.9° |
| C43 | N11 | C49 | C48 | 177.9° | 180.0° |
| C43 | N11 | C49 | C50 | 1.2° | 0.0° |
| N11 | C43 | C51 | O12 | 172.6° | 180.0° |
| N11 | C43 | C51 | N5 | 10.5° | 0.0° |
| C49 | N11 | C43 | C44 | 0.9° | 0.0° |
| C49 | N11 | C43 | C51 | 177.3° | 180.0° |
| N11 | C49 | C50 | N12 | 5.2° | 0.0° |
| N11 | C49 | C50 | C45 | 176.5° | 180.0° |
| N11 | C49 | C48 | C47 | 178.1° | 180.0° |
| N11 | C49 | C48 | C50 | 179.1° | 180.0° |
| N11 | C49 | C48 | H64 | 1.9° | 0.0° |
| C43 | C44 | N12 | H60 | 180.0° | 179.9° |
| C43 | C44 | N12 | C50 | 4.9° | 0.0° |
| C44 | C43 | C51 | O12 | 10.9° | 0.1° |
| C44 | C43 | C51 | N5 | 166.1° | 180.0° |
| C51 | C43 | C44 | N12 | 175.4° | 180.0° |
| C51 | C43 | C44 | H60 | 4.6° | 0.0° |
| C43 | C51 | O12 | N5 | 176.8° | 179.9° |
| C44 | N12 | C50 | C45 | 178.1° | 180.0° |
| C44 | N12 | C50 | C49 | 6.9° | 0.0° |
| H60 | C44 | N12 | C50 | 175.1° | 179.9° |
| N12 | C50 | C45 | C46 | 173.8° | 180.0° |
| N12 | C50 | C45 | C49 | 171.4° | 180.0° |
| N12 | C50 | C45 | H61 | 6.2° | 0.0° |
| N12 | C50 | C49 | C48 | 173.9° | 180.0° |
| C46 | C45 | C50 | H61 | 180.0° | 180.0° |
| C45 | C46 | C47 | H62 | 180.0° | 180.0° |
| C45 | C46 | C47 | C48 | 8.9° | 0.0° |
| C45 | C46 | C47 | H63 | 171.1° | 180.0° |
| C46 | C45 | C50 | C49 | 2.4° | 0.0° |
| C50 | C45 | C46 | C47 | 3.2° | 0.0° |
| C50 | C45 | C46 | H62 | 176.8° | 180.0° |
| C45 | C50 | C49 | C48 | 2.6° | 0.0° |
| H61 | C45 | C46 | C47 | 176.8° | 180.0° |
| H61 | C45 | C46 | H62 | 3.2° | 0.0° |
| H61 | C45 | C50 | C49 | 177.6° | 180.0° |
| C46 | C47 | C48 | H63 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 8.5° | 0.0° |
| C46 | C47 | C48 | H64 | 171.5° | 180.0° |
| H62 | C46 | C47 | C48 | 171.1° | 180.0° |
| H62 | C46 | C47 | H63 | 8.9° | 0.0° |
| C47 | C48 | C49 | H64 | 180.0° | 180.0° |
| C47 | C48 | C49 | C50 | 2.8° | 0.0° |
| H63 | C47 | C48 | C49 | 171.5° | 180.0° |
| H63 | C47 | C48 | H64 | 8.5° | 0.1° |
| H64 | C48 | C49 | C50 | 177.2° | 180.0° |
