JG0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C17 | doub | 1.30Å | 1.42Å | |
| N8 | C17 | sing | 1.38Å | 1.32Å | |
| C17 | N6 | sing | 1.37Å | 1.41Å | |
| C12 | N4 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| N6 | C16 | sing | 1.47Å | 1.46Å | |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.51Å | |
| C26 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C23 | N10 | sing | 1.48Å | 1.45Å | |
| N9 | C18 | sing | 1.37Å | 1.34Å | |
| N9 | C14 | sing | 1.48Å | 1.45Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| O1 | C24 | doub | 1.21Å | 1.23Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.51Å | 1.53Å | |
| N5 | C8 | sing | 1.47Å | 1.45Å | |
| N5 | C13 | sing | 1.36Å | 1.34Å | |
| N10 | C24 | sing | 1.36Å | 1.33Å | |
| C24 | C25 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.51Å | 1.53Å | |
| C13 | O3 | doub | 1.21Å | 1.23Å | |
| O4 | C7 | doub | 1.21Å | 1.23Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| C7 | N3 | sing | 1.36Å | 1.33Å | |
| N1 | C2 | doub | 1.30Å | 1.43Å | |
| C25 | N11 | sing | 1.48Å | 1.45Å | |
| C | N11 | sing | 1.37Å | 1.34Å | |
| C | C1 | sing | 1.51Å | 1.53Å | |
| N3 | C6 | sing | 1.48Å | 1.46Å | |
| C1 | N | sing | 1.47Å | 1.45Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | N | sing | 1.37Å | 1.37Å | |
| C2 | N2 | sing | 1.37Å | 1.30Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| N2 | H3 | sing | 0.97Å | 1.00Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| N4 | H17 | sing | 1.01Å | 1.00Å | |
| N4 | H18 | sing | 1.01Å | 1.00Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C10 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H28 | sing | 1.09Å | 1.10Å | |
| C15 | H29 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H31 | sing | 1.09Å | 1.10Å | |
| C19 | H32 | sing | 1.09Å | 1.10Å | |
| C19 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.08Å | 1.08Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H38 | sing | 1.09Å | 1.10Å | |
| C26 | H39 | sing | 1.08Å | 1.08Å | |
| C27 | H40 | sing | 1.08Å | 1.08Å | |
| C28 | H41 | sing | 1.08Å | 1.08Å | |
| N10 | H42 | sing | 0.97Å | 1.00Å | |
| N11 | H43 | sing | 0.97Å | 1.00Å | |
| N5 | H44 | sing | 0.97Å | 1.00Å | |
| N6 | H45 | sing | 0.97Å | 1.00Å | |
| N7 | H46 | sing | 0.97Å | 1.00Å | |
| N8 | H47 | sing | 0.97Å | 1.00Å | |
| N8 | H48 | sing | 0.97Å | 1.00Å | |
| N9 | H49 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C17 | N8 | 128.1° | 120.0° |
| N7 | C17 | N6 | 111.9° | 120.0° |
| C17 | N7 | H46 | 112.0° | 120.1° |
| N8 | C17 | N6 | 120.0° | 120.0° |
| C17 | N8 | H47 | 120.0° | 120.0° |
| C17 | N8 | H48 | 120.0° | 120.0° |
| C17 | N6 | C16 | 114.2° | 120.0° |
| C17 | N6 | H45 | 122.9° | 120.0° |
| N4 | C12 | C11 | 113.7° | 109.5° |
| C12 | N4 | H17 | 109.5° | 111.0° |
| C12 | N4 | H18 | 109.5° | 111.0° |
| N4 | C12 | H25 | 108.4° | 109.5° |
| N4 | C12 | H26 | 108.4° | 109.5° |
| C12 | C11 | C10 | 110.1° | 109.4° |
| C12 | C11 | H23 | 109.3° | 109.5° |
| C12 | C11 | H24 | 109.3° | 109.4° |
| C11 | C12 | H25 | 108.4° | 109.5° |
| C11 | C12 | H26 | 108.4° | 109.5° |
| C27 | C28 | C20 | 120.4° | 120.0° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C28 | C27 | H40 | 119.9° | 120.0° |
| C27 | C28 | H41 | 119.8° | 120.0° |
| C28 | C20 | C19 | 120.9° | 120.0° |
| C28 | C20 | C21 | 119.0° | 120.0° |
| C20 | C28 | H41 | 119.8° | 120.0° |
| C20 | C19 | C18 | 113.8° | 109.4° |
| C19 | C20 | C21 | 120.1° | 120.0° |
| C20 | C19 | H32 | 108.4° | 109.4° |
| C20 | C19 | H33 | 108.4° | 109.5° |
| C19 | C18 | N9 | 115.3° | 119.0° |
| C19 | C18 | O2 | 122.7° | 120.5° |
| C18 | C19 | H32 | 108.4° | 109.5° |
| C18 | C19 | H33 | 108.4° | 109.5° |
| N6 | C16 | C15 | 111.9° | 109.5° |
| N6 | C16 | H30 | 108.8° | 109.5° |
| N6 | C16 | H31 | 108.9° | 109.4° |
| C16 | N6 | H45 | 122.9° | 120.0° |
| C27 | C26 | C22 | 120.3° | 120.0° |
| C27 | C26 | H39 | 119.8° | 120.0° |
| C26 | C27 | H40 | 119.9° | 120.0° |
| C20 | C21 | C22 | 121.2° | 120.0° |
| C20 | C21 | H34 | 119.4° | 120.0° |
| C11 | C10 | C9 | 114.9° | 109.5° |
| C11 | C10 | H21 | 108.1° | 109.5° |
| C11 | C10 | H22 | 108.1° | 109.5° |
| C10 | C11 | H23 | 109.3° | 109.5° |
| C10 | C11 | H24 | 109.3° | 109.5° |
| C10 | C9 | C8 | 112.8° | 109.5° |
| C10 | C9 | H5 | 108.6° | 109.4° |
| C10 | C9 | H6 | 108.7° | 109.5° |
| C9 | C10 | H21 | 108.1° | 109.5° |
| C9 | C10 | H22 | 108.1° | 109.5° |
| C16 | C15 | C14 | 114.7° | 109.5° |
| C16 | C15 | H28 | 108.1° | 109.4° |
| C16 | C15 | H29 | 108.2° | 109.5° |
| C15 | C16 | H30 | 108.9° | 109.4° |
| C15 | C16 | H31 | 108.9° | 109.5° |
| C26 | C22 | C21 | 119.0° | 120.0° |
| C26 | C22 | C23 | 121.4° | 120.1° |
| C22 | C26 | H39 | 119.9° | 120.0° |
| C21 | C22 | C23 | 119.6° | 119.9° |
| C22 | C21 | H34 | 119.4° | 120.0° |
| C22 | C23 | N10 | 110.7° | 109.1° |
| C22 | C23 | H35 | 109.2° | 109.5° |
| C22 | C23 | H36 | 109.2° | 109.5° |
| C23 | N10 | C24 | 123.5° | 116.6° |
| N10 | C23 | H35 | 109.2° | 109.5° |
| N10 | C23 | H36 | 109.1° | 109.5° |
| C23 | N10 | H42 | 118.2° | 121.7° |
| C18 | N9 | C14 | 120.3° | 115.1° |
| N9 | C18 | O2 | 122.0° | 120.5° |
| C18 | N9 | H49 | 119.9° | 122.4° |
| N9 | C14 | C15 | 112.2° | 109.7° |
| N9 | C14 | C13 | 114.4° | 108.9° |
| N9 | C14 | H27 | 107.0° | 109.6° |
| C14 | N9 | H49 | 119.8° | 122.4° |
| C9 | C8 | N5 | 111.1° | 109.5° |
| C9 | C8 | C7 | 111.3° | 109.5° |
| C9 | C8 | H2 | 108.0° | 109.4° |
| C8 | C9 | H5 | 108.6° | 109.4° |
| C8 | C9 | H6 | 108.6° | 109.5° |
| O1 | C24 | N10 | 122.6° | 120.5° |
| O1 | C24 | C25 | 121.3° | 120.5° |
| C15 | C14 | C13 | 110.4° | 109.6° |
| C15 | C14 | H27 | 106.1° | 109.6° |
| C14 | C15 | H28 | 108.2° | 109.4° |
| C14 | C15 | H29 | 108.1° | 109.4° |
| C14 | C13 | N5 | 116.3° | 118.9° |
| C14 | C13 | O3 | 119.8° | 120.5° |
| C13 | C14 | H27 | 106.2° | 109.6° |
| C8 | N5 | C13 | 123.6° | 116.6° |
| N5 | C8 | C7 | 109.2° | 109.6° |
| N5 | C8 | H2 | 109.1° | 109.4° |
| C8 | N5 | H44 | 118.2° | 121.7° |
| N5 | C13 | O3 | 123.9° | 120.5° |
| C13 | N5 | H44 | 118.2° | 121.7° |
| N10 | C24 | C25 | 116.1° | 119.0° |
| C24 | N10 | H42 | 118.3° | 121.7° |
| C24 | C25 | N11 | 112.6° | 109.1° |
| C24 | C25 | H37 | 108.7° | 109.5° |
| C24 | C25 | H38 | 108.7° | 109.5° |
| C8 | C7 | O4 | 121.1° | 120.6° |
| C8 | C7 | N3 | 115.9° | 118.9° |
| C7 | C8 | H2 | 108.1° | 109.4° |
| O4 | C7 | N3 | 122.9° | 120.5° |
| O | C | N11 | 122.1° | 120.4° |
| O | C | C1 | 120.3° | 120.5° |
| C7 | N3 | C6 | 122.5° | 116.8° |
| C7 | N3 | H12 | 118.7° | 121.6° |
| N1 | C2 | N | 116.3° | 120.0° |
| N1 | C2 | N2 | 120.1° | 120.0° |
| C2 | N1 | H1 | 112.0° | 120.0° |
| C25 | N11 | C | 120.3° | 115.1° |
| N11 | C25 | H37 | 108.7° | 109.5° |
| N11 | C25 | H38 | 108.7° | 109.5° |
| C25 | N11 | H43 | 119.8° | 122.4° |
| N11 | C | C1 | 117.6° | 119.1° |
| C | N11 | H43 | 119.9° | 122.4° |
| C | C1 | N | 112.0° | 109.5° |
| C | C1 | C3 | 110.7° | 109.3° |
| C | C1 | H7 | 108.0° | 109.5° |
| N3 | C6 | C5 | 110.9° | 109.3° |
| N3 | C6 | H10 | 109.1° | 109.4° |
| N3 | C6 | H11 | 109.1° | 109.5° |
| C6 | N3 | H12 | 118.8° | 121.6° |
| N | C1 | C3 | 108.9° | 109.5° |
| C1 | N | C2 | 127.2° | 120.0° |
| N | C1 | H7 | 109.1° | 109.5° |
| C1 | N | H20 | 116.4° | 120.0° |
| C1 | C3 | C4 | 114.4° | 109.3° |
| C3 | C1 | H7 | 108.0° | 109.5° |
| C1 | C3 | H15 | 108.2° | 109.5° |
| C1 | C3 | H16 | 108.2° | 109.5° |
| N | C2 | N2 | 123.6° | 120.0° |
| C2 | N | H20 | 116.4° | 120.0° |
| C2 | N2 | H3 | 120.0° | 120.0° |
| C2 | N2 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | 111.0° | 109.7° |
| C3 | C4 | H13 | 109.1° | 109.5° |
| C3 | C4 | H14 | 109.1° | 109.4° |
| C4 | C3 | H15 | 108.2° | 109.5° |
| C4 | C3 | H16 | 108.2° | 109.6° |
| C4 | C5 | C6 | 113.8° | 109.4° |
| C4 | C5 | H8 | 108.4° | 109.5° |
| C4 | C5 | H9 | 108.4° | 109.5° |
| C5 | C4 | H13 | 109.1° | 109.4° |
| C5 | C4 | H14 | 109.1° | 109.4° |
| C6 | C5 | H8 | 108.4° | 109.5° |
| C6 | C5 | H9 | 108.4° | 109.5° |
| C5 | C6 | H10 | 109.1° | 109.5° |
| C5 | C6 | H11 | 109.1° | 109.5° |
| H3 | N2 | H4 | 120.0° | 119.9° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.4° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H13 | C4 | H14 | 109.5° | 109.4° |
| H15 | C3 | H16 | 109.5° | 109.5° |
| H17 | N4 | H18 | 109.5° | 110.9° |
| H21 | C10 | H22 | 109.5° | 109.4° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.5° |
| H28 | C15 | H29 | 109.5° | 109.5° |
| H30 | C16 | H31 | 109.5° | 109.5° |
| H32 | C19 | H33 | 109.5° | 109.5° |
| H35 | C23 | H36 | 109.5° | 109.6° |
| H37 | C25 | H38 | 109.5° | 109.6° |
| H47 | N8 | H48 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C17 | N8 | N6 | 179.8° | 180.0° |
| N7 | C17 | N6 | C16 | 26.5° | 180.0° |
| N7 | C17 | N6 | H45 | 153.5° | 0.1° |
| N7 | C17 | N8 | H47 | 179.8° | 179.9° |
| N7 | C17 | N8 | H48 | 0.2° | 0.0° |
| N8 | C17 | N6 | C16 | 153.3° | 0.0° |
| N8 | C17 | N6 | H45 | 26.7° | 180.0° |
| N8 | C17 | N7 | H46 | 179.8° | 180.0° |
| C17 | N8 | H47 | H48 | 180.0° | 179.9° |
| C17 | N6 | C16 | H45 | 180.0° | 180.0° |
| C17 | N6 | C16 | C15 | 162.7° | 179.9° |
| C17 | N6 | C16 | H30 | 42.3° | 60.0° |
| C17 | N6 | C16 | H31 | 77.0° | 60.0° |
| N6 | C17 | N7 | H46 | 0.0° | 0.0° |
| N6 | C17 | N8 | H47 | 0.0° | 0.0° |
| N6 | C17 | N8 | H48 | 180.0° | 180.0° |
| N4 | C12 | C11 | H25 | 120.6° | 120.0° |
| N4 | C12 | C11 | H26 | 120.6° | 120.0° |
| N4 | C12 | C11 | C10 | 170.7° | 180.0° |
| C12 | N4 | H17 | H18 | 120.0° | 123.9° |
| N4 | C12 | C11 | H23 | 69.2° | 60.0° |
| N4 | C12 | C11 | H24 | 50.6° | 60.0° |
| N4 | C12 | H25 | H26 | 118.1° | 120.0° |
| C12 | C11 | C10 | H23 | 120.1° | 120.0° |
| C12 | C11 | C10 | H24 | 120.1° | 119.9° |
| C12 | C11 | C10 | C9 | 179.0° | 180.0° |
| C11 | C12 | N4 | H17 | 180.0° | 179.9° |
| C11 | C12 | N4 | H18 | 60.0° | 56.1° |
| C12 | C11 | C10 | H21 | 60.2° | 60.0° |
| C12 | C11 | C10 | H22 | 58.2° | 60.0° |
| C12 | C11 | H23 | H24 | 119.7° | 120.0° |
| C11 | C12 | H25 | H26 | 118.0° | 120.0° |
| C27 | C28 | C20 | H41 | 180.0° | 180.0° |
| C27 | C28 | C20 | C19 | 179.6° | 179.9° |
| C28 | C27 | C26 | H40 | 180.0° | 180.0° |
| C27 | C28 | C20 | C21 | 0.2° | 0.0° |
| C28 | C27 | C26 | C22 | 0.9° | 0.1° |
| C28 | C27 | C26 | H39 | 179.1° | 179.8° |
| C28 | C20 | C19 | C21 | 179.9° | 179.9° |
| C28 | C20 | C19 | C18 | 80.7° | 83.7° |
| C20 | C28 | C27 | C26 | 0.6° | 0.1° |
| C28 | C20 | C21 | C22 | 0.7° | 0.0° |
| C28 | C20 | C19 | H32 | 40.0° | 36.3° |
| C28 | C20 | C19 | H33 | 158.7° | 156.3° |
| C28 | C20 | C21 | H34 | 179.3° | 180.0° |
| C20 | C28 | C27 | H40 | 179.4° | 179.9° |
| C20 | C19 | C18 | H32 | 120.6° | 119.9° |
| C20 | C19 | C18 | H33 | 120.6° | 120.0° |
| C19 | C20 | C21 | C22 | 179.1° | 179.9° |
| C20 | C19 | C18 | N9 | 165.3° | 149.1° |
| C20 | C19 | C18 | O2 | 15.4° | 30.9° |
| C20 | C19 | H32 | H33 | 118.1° | 120.0° |
| C19 | C20 | C21 | H34 | 0.9° | 0.1° |
| C19 | C20 | C28 | H41 | 0.4° | 0.1° |
| C18 | C19 | C20 | C21 | 99.5° | 96.2° |
| C19 | C18 | N9 | O2 | 179.3° | 180.0° |
| C19 | C18 | N9 | C14 | 176.6° | 179.8° |
| C18 | C19 | H32 | H33 | 118.0° | 120.1° |
| C19 | C18 | N9 | H49 | 3.4° | 0.4° |
| N6 | C16 | C15 | H30 | 120.4° | 120.0° |
| N6 | C16 | C15 | H31 | 120.4° | 120.0° |
| N6 | C16 | C15 | C14 | 173.7° | 174.2° |
| N6 | C16 | C15 | H28 | 52.9° | 54.2° |
| N6 | C16 | C15 | H29 | 65.5° | 65.8° |
| N6 | C16 | H30 | H31 | 118.9° | 120.0° |
| C27 | C26 | C22 | H39 | 180.0° | 179.9° |
| C27 | C26 | C22 | C21 | 0.4° | 0.1° |
| C27 | C26 | C22 | C23 | 179.2° | 179.7° |
| C26 | C27 | C28 | H41 | 179.5° | 179.9° |
| C20 | C21 | C22 | C26 | 0.5° | 0.0° |
| C20 | C21 | C22 | H34 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 180.0° | 179.8° |
| C21 | C20 | C19 | H32 | 139.9° | 143.8° |
| C21 | C20 | C19 | H33 | 21.2° | 23.8° |
| C21 | C20 | C28 | H41 | 179.7° | 180.0° |
| C11 | C10 | C9 | H21 | 120.8° | 120.0° |
| C11 | C10 | C9 | H22 | 120.8° | 120.0° |
| C11 | C10 | C9 | C8 | 69.7° | 180.0° |
| C11 | C10 | C9 | H5 | 50.8° | 60.0° |
| C11 | C10 | C9 | H6 | 169.8° | 60.0° |
| C11 | C10 | H21 | H22 | 117.5° | 120.0° |
| C10 | C11 | H23 | H24 | 119.7° | 120.0° |
| C10 | C11 | C12 | H25 | 50.1° | 60.0° |
| C10 | C11 | C12 | H26 | 68.7° | 60.0° |
| C10 | C9 | C8 | H5 | 120.5° | 119.9° |
| C10 | C9 | C8 | H6 | 120.5° | 120.0° |
| C10 | C9 | C8 | N5 | 56.0° | 64.8° |
| C10 | C9 | C8 | C7 | 177.9° | 175.0° |
| C10 | C9 | C8 | H2 | 63.6° | 55.1° |
| C10 | C9 | H5 | H6 | 118.5° | 120.0° |
| C9 | C10 | H21 | H22 | 117.5° | 120.0° |
| C9 | C10 | C11 | H23 | 58.9° | 60.0° |
| C9 | C10 | C11 | H24 | 60.9° | 60.0° |
| C16 | C15 | C14 | N9 | 27.5° | 53.1° |
| C16 | C15 | C14 | H28 | 120.8° | 120.0° |
| C16 | C15 | C14 | H29 | 120.8° | 120.1° |
| C16 | C15 | C14 | C13 | 101.4° | 66.4° |
| C16 | C15 | C14 | H27 | 144.0° | 173.3° |
| C16 | C15 | H28 | H29 | 117.6° | 120.1° |
| C15 | C16 | H30 | H31 | 118.9° | 120.0° |
| C15 | C16 | N6 | H45 | 17.3° | 0.0° |
| C26 | C22 | C21 | C23 | 179.6° | 179.8° |
| C26 | C22 | C23 | N10 | 120.7° | 99.4° |
| C26 | C22 | C21 | H34 | 179.5° | 180.0° |
| C26 | C22 | C23 | H35 | 119.1° | 20.5° |
| C26 | C22 | C23 | H36 | 0.6° | 140.7° |
| C22 | C26 | C27 | H40 | 179.1° | 179.8° |
| C21 | C22 | C23 | N10 | 58.8° | 80.8° |
| C21 | C22 | C23 | H35 | 61.4° | 159.3° |
| C21 | C22 | C23 | H36 | 179.0° | 39.1° |
| C21 | C22 | C26 | H39 | 179.6° | 179.9° |
| C22 | C23 | N10 | H35 | 120.2° | 119.9° |
| C22 | C23 | N10 | H36 | 120.2° | 119.9° |
| C22 | C23 | N10 | C24 | 123.3° | 150.6° |
| C23 | C22 | C21 | H34 | 0.0° | 0.2° |
| C22 | C23 | H35 | H36 | 119.4° | 120.1° |
| C23 | C22 | C26 | H39 | 0.8° | 0.3° |
| C22 | C23 | N10 | H42 | 56.7° | 29.3° |
| C23 | N10 | C24 | O1 | 7.8° | 3.7° |
| C23 | N10 | C24 | H42 | 180.0° | 180.0° |
| C23 | N10 | C24 | C25 | 173.2° | 176.3° |
| N10 | C23 | H35 | H36 | 119.4° | 120.2° |
| C18 | N9 | C14 | H49 | 180.0° | 179.9° |
| C18 | N9 | C14 | C15 | 117.5° | 28.2° |
| C18 | N9 | C14 | C13 | 115.7° | 148.1° |
| C18 | N9 | C14 | H27 | 1.6° | 92.1° |
| N9 | C18 | C19 | H32 | 44.6° | 91.0° |
| N9 | C18 | C19 | H33 | 74.1° | 29.1° |
| C14 | N9 | C18 | O2 | 4.1° | 0.2° |
| N9 | C14 | C15 | C13 | 128.9° | 119.4° |
| N9 | C14 | C15 | H27 | 116.5° | 120.3° |
| N9 | C14 | C13 | H27 | 117.8° | 119.8° |
| N9 | C14 | C13 | N5 | 10.7° | 145.4° |
| N9 | C14 | C13 | O3 | 172.1° | 34.6° |
| N9 | C14 | C15 | H28 | 93.3° | 173.0° |
| N9 | C14 | C15 | H29 | 148.2° | 67.0° |
| C9 | C8 | N5 | C7 | 123.1° | 120.1° |
| C9 | C8 | N5 | H2 | 118.9° | 119.9° |
| C9 | C8 | N5 | C13 | 124.4° | 133.0° |
| C9 | C8 | C7 | H2 | 118.4° | 119.9° |
| C9 | C8 | C7 | O4 | 43.8° | 174.1° |
| C9 | C8 | C7 | N3 | 139.0° | 6.2° |
| C8 | C9 | H5 | H6 | 118.5° | 120.0° |
| C8 | C9 | C10 | H21 | 169.5° | 60.0° |
| C8 | C9 | C10 | H22 | 51.1° | 59.9° |
| C9 | C8 | N5 | H44 | 55.6° | 47.0° |
| O2 | C18 | C19 | H32 | 136.1° | 89.0° |
| O2 | C18 | C19 | H33 | 105.2° | 150.9° |
| O2 | C18 | N9 | H49 | 175.9° | 179.7° |
| O1 | C24 | N10 | C25 | 179.0° | 180.0° |
| O1 | C24 | C25 | N11 | 153.0° | 46.5° |
| O1 | C24 | C25 | H37 | 32.6° | 166.3° |
| O1 | C24 | C25 | H38 | 86.5° | 73.4° |
| O1 | C24 | N10 | H42 | 172.1° | 176.3° |
| C15 | C14 | C13 | H27 | 114.6° | 120.3° |
| C15 | C14 | C13 | N5 | 138.3° | 25.5° |
| C15 | C14 | C13 | O3 | 44.4° | 154.5° |
| C14 | C15 | H28 | H29 | 117.6° | 120.0° |
| C14 | C15 | C16 | H30 | 65.9° | 65.8° |
| C14 | C15 | C16 | H31 | 53.3° | 54.2° |
| C15 | C14 | N9 | H49 | 62.5° | 151.9° |
| C14 | C13 | N5 | C8 | 177.7° | 177.3° |
| C14 | C13 | N5 | O3 | 177.1° | 180.0° |
| C13 | C14 | C15 | H28 | 137.8° | 53.6° |
| C13 | C14 | C15 | H29 | 19.4° | 173.6° |
| C14 | C13 | N5 | H44 | 2.4° | 2.7° |
| C13 | C14 | N9 | H49 | 64.3° | 32.1° |
| C8 | N5 | C13 | H44 | 180.0° | 179.9° |
| N5 | C8 | C7 | H2 | 118.5° | 120.0° |
| C8 | N5 | C13 | O3 | 5.2° | 2.7° |
| N5 | C8 | C7 | O4 | 79.3° | 65.8° |
| N5 | C8 | C7 | N3 | 98.0° | 113.9° |
| N5 | C8 | C9 | H5 | 176.4° | 55.1° |
| N5 | C8 | C9 | H6 | 64.6° | 175.1° |
| C13 | N5 | C8 | C7 | 112.5° | 106.9° |
| C13 | N5 | C8 | H2 | 5.4° | 13.1° |
| N5 | C13 | C14 | H27 | 107.1° | 94.8° |
| N10 | C24 | C25 | N11 | 27.9° | 133.5° |
| C24 | N10 | C23 | H35 | 3.1° | 89.4° |
| C24 | N10 | C23 | H36 | 116.5° | 30.7° |
| N10 | C24 | C25 | H37 | 148.4° | 13.7° |
| N10 | C24 | C25 | H38 | 92.5° | 106.6° |
| C24 | C25 | N11 | H37 | 120.4° | 119.9° |
| C24 | C25 | N11 | H38 | 120.5° | 119.9° |
| C24 | C25 | N11 | C | 69.7° | 158.7° |
| C24 | C25 | H37 | H38 | 118.6° | 120.2° |
| C25 | C24 | N10 | H42 | 6.8° | 3.7° |
| C24 | C25 | N11 | H43 | 110.3° | 21.3° |
| C8 | C7 | O4 | N3 | 177.0° | 179.7° |
| C8 | C7 | N3 | C6 | 173.2° | 174.7° |
| C7 | C8 | C9 | H5 | 61.6° | 65.1° |
| C7 | C8 | C9 | H6 | 57.4° | 55.0° |
| C8 | C7 | N3 | H12 | 6.8° | 5.2° |
| C7 | C8 | N5 | H44 | 67.5° | 73.1° |
| O3 | C13 | C14 | H27 | 70.2° | 85.2° |
| O3 | C13 | N5 | H44 | 174.8° | 177.3° |
| O4 | C7 | N3 | C6 | 4.0° | 5.6° |
| O4 | C7 | C8 | H2 | 162.2° | 54.2° |
| O4 | C7 | N3 | H12 | 176.0° | 174.5° |
| O | C | N11 | C25 | 5.2° | 0.5° |
| O | C | N11 | C1 | 179.3° | 180.0° |
| O | C | C1 | N | 150.8° | 91.8° |
| O | C | C1 | C3 | 87.4° | 28.1° |
| O | C | C1 | H7 | 30.7° | 148.1° |
| O | C | N11 | H43 | 174.8° | 179.5° |
| C7 | N3 | C6 | H12 | 180.0° | 179.9° |
| C7 | N3 | C6 | C5 | 97.3° | 53.1° |
| N3 | C7 | C8 | H2 | 20.6° | 126.1° |
| C7 | N3 | C6 | H10 | 142.5° | 173.0° |
| C7 | N3 | C6 | H11 | 22.9° | 66.9° |
| N1 | C2 | N | C1 | 2.6° | 179.9° |
| N1 | C2 | N | N2 | 178.0° | 179.9° |
| N1 | C2 | N2 | H3 | 178.0° | 0.0° |
| N1 | C2 | N2 | H4 | 2.1° | 179.9° |
| N1 | C2 | N | H20 | 177.4° | 0.1° |
| C25 | N11 | C | H43 | 180.0° | 180.0° |
| C25 | N11 | C | C1 | 174.1° | 179.5° |
| N11 | C25 | H37 | H38 | 118.6° | 120.2° |
| N11 | C | C1 | N | 29.9° | 88.2° |
| N11 | C | C1 | C3 | 91.9° | 151.9° |
| N11 | C | C1 | H7 | 150.0° | 31.9° |
| C | N11 | C25 | H37 | 50.8° | 38.8° |
| C | N11 | C25 | H38 | 169.9° | 81.4° |
| C | C1 | N | C3 | 122.8° | 119.8° |
| C | C1 | N | H7 | 119.5° | 120.1° |
| C | C1 | C3 | H7 | 118.1° | 120.0° |
| C | C1 | N | C2 | 77.5° | 85.1° |
| C | C1 | C3 | C4 | 59.2° | 119.8° |
| C | C1 | C3 | H15 | 61.5° | 0.1° |
| C | C1 | C3 | H16 | 179.9° | 120.2° |
| C | C1 | N | H20 | 102.5° | 94.8° |
| C1 | C | N11 | H43 | 5.9° | 0.5° |
| N3 | C6 | C5 | C4 | 59.2° | 152.9° |
| N3 | C6 | C5 | H10 | 120.2° | 119.9° |
| N3 | C6 | C5 | H11 | 120.2° | 120.0° |
| N3 | C6 | C5 | H8 | 179.9° | 87.1° |
| N3 | C6 | C5 | H9 | 61.4° | 32.9° |
| N3 | C6 | H10 | H11 | 119.4° | 120.0° |
| N | C1 | C3 | H7 | 118.3° | 120.1° |
| C1 | N | C2 | H20 | 180.0° | 180.0° |
| C1 | N | C2 | N2 | 175.4° | 0.0° |
| N | C1 | C3 | C4 | 177.3° | 120.3° |
| N | C1 | C3 | H15 | 62.0° | 119.8° |
| N | C1 | C3 | H16 | 56.5° | 0.2° |
| C3 | C1 | N | C2 | 159.7° | 155.0° |
| C1 | C3 | C4 | H15 | 120.7° | 119.9° |
| C1 | C3 | C4 | H16 | 120.7° | 120.0° |
| C1 | C3 | C4 | C5 | 174.6° | 121.9° |
| C1 | C3 | C4 | H13 | 54.4° | 1.8° |
| C1 | C3 | C4 | H14 | 65.1° | 118.0° |
| C1 | C3 | H15 | H16 | 117.8° | 120.1° |
| C3 | C1 | N | H20 | 20.3° | 25.0° |
| N | C2 | N1 | H1 | 178.1° | 180.0° |
| N | C2 | N2 | H3 | 0.0° | 179.9° |
| N | C2 | N2 | H4 | 180.0° | 0.0° |
| C2 | N | C1 | H7 | 42.0° | 34.9° |
| N2 | C2 | N1 | H1 | 0.0° | 0.1° |
| C2 | N2 | H3 | H4 | 180.0° | 179.9° |
| N2 | C2 | N | H20 | 4.6° | 180.0° |
| C3 | C4 | C5 | H13 | 120.3° | 120.1° |
| C3 | C4 | C5 | H14 | 120.3° | 120.1° |
| C3 | C4 | C5 | C6 | 178.1° | 138.9° |
| C4 | C3 | C1 | H7 | 58.9° | 0.2° |
| C3 | C4 | C5 | H8 | 61.2° | 19.0° |
| C3 | C4 | C5 | H9 | 57.5° | 101.1° |
| C3 | C4 | H13 | H14 | 119.3° | 119.9° |
| C4 | C3 | H15 | H16 | 117.8° | 120.1° |
| C4 | C5 | C6 | H8 | 120.7° | 120.0° |
| C4 | C5 | C6 | H9 | 120.6° | 120.0° |
| C4 | C5 | H8 | H9 | 118.0° | 120.1° |
| C4 | C5 | C6 | H10 | 179.4° | 87.2° |
| C4 | C5 | C6 | H11 | 61.0° | 32.9° |
| C5 | C4 | H13 | H14 | 119.3° | 119.9° |
| C5 | C4 | C3 | H15 | 64.7° | 2.0° |
| C5 | C4 | C3 | H16 | 53.9° | 118.1° |
| C6 | C5 | H8 | H9 | 118.0° | 120.0° |
| C5 | C6 | H10 | H11 | 119.3° | 120.1° |
| C5 | C6 | N3 | H12 | 82.7° | 127.0° |
| C6 | C5 | C4 | H13 | 57.9° | 101.0° |
| C6 | C5 | C4 | H14 | 61.6° | 18.9° |
| H2 | C8 | C9 | H5 | 56.9° | 175.0° |
| H2 | C8 | C9 | H6 | 175.9° | 65.0° |
| H2 | C8 | N5 | H44 | 174.6° | 166.9° |
| H5 | C9 | C10 | H21 | 70.0° | 180.0° |
| H5 | C9 | C10 | H22 | 171.6° | 60.0° |
| H6 | C9 | C10 | H21 | 49.0° | 60.1° |
| H6 | C9 | C10 | H22 | 69.4° | 180.0° |
| H7 | C1 | C3 | H15 | 179.6° | 120.1° |
| H7 | C1 | C3 | H16 | 61.8° | 119.8° |
| H7 | C1 | N | H20 | 138.0° | 145.1° |
| H8 | C5 | C6 | H10 | 59.9° | 32.8° |
| H8 | C5 | C6 | H11 | 59.7° | 152.9° |
| H8 | C5 | C4 | H13 | 178.5° | 139.1° |
| H8 | C5 | C4 | H14 | 59.1° | 101.1° |
| H9 | C5 | C6 | H10 | 58.8° | 152.8° |
| H9 | C5 | C6 | H11 | 178.4° | 87.1° |
| H9 | C5 | C4 | H13 | 62.8° | 19.0° |
| H9 | C5 | C4 | H14 | 177.8° | 138.9° |
| H10 | C6 | N3 | H12 | 37.5° | 7.0° |
| H11 | C6 | N3 | H12 | 157.1° | 113.0° |
| H13 | C4 | C3 | H15 | 175.1° | 118.1° |
| H13 | C4 | C3 | H16 | 66.3° | 121.9° |
| H14 | C4 | C3 | H15 | 55.6° | 122.0° |
| H14 | C4 | C3 | H16 | 174.1° | 2.0° |
| H17 | N4 | C12 | H25 | 59.4° | 60.0° |
| H17 | N4 | C12 | H26 | 59.4° | 60.0° |
| H18 | N4 | C12 | H25 | 60.6° | 63.9° |
| H18 | N4 | C12 | H26 | 179.4° | 176.1° |
| H21 | C10 | C11 | H23 | 179.7° | 179.9° |
| H21 | C10 | C11 | H24 | 60.0° | 60.0° |
| H22 | C10 | C11 | H23 | 61.9° | 60.0° |
| H22 | C10 | C11 | H24 | 178.3° | 179.9° |
| H23 | C11 | C12 | H25 | 170.1° | 60.0° |
| H23 | C11 | C12 | H26 | 51.4° | 180.0° |
| H24 | C11 | C12 | H25 | 70.0° | 180.0° |
| H24 | C11 | C12 | H26 | 171.2° | 60.0° |
| H27 | C14 | C15 | H28 | 23.2° | 66.7° |
| H27 | C14 | C15 | H29 | 95.2° | 53.3° |
| H27 | C14 | N9 | H49 | 178.5° | 87.8° |
| H28 | C15 | C16 | H30 | 173.3° | 174.2° |
| H28 | C15 | C16 | H31 | 67.5° | 65.8° |
| H29 | C15 | C16 | H30 | 54.8° | 54.2° |
| H29 | C15 | C16 | H31 | 174.1° | 174.2° |
| H30 | C16 | N6 | H45 | 137.7° | 120.0° |
| H31 | C16 | N6 | H45 | 103.0° | 120.1° |
| H35 | C23 | N10 | H42 | 176.9° | 90.6° |
| H36 | C23 | N10 | H42 | 63.5° | 149.2° |
| H37 | C25 | N11 | H43 | 129.2° | 141.2° |
| H38 | C25 | N11 | H43 | 10.2° | 98.6° |
| H39 | C26 | C27 | H40 | 0.9° | 0.2° |
| H40 | C27 | C28 | H41 | 0.6° | 0.1° |
