IXJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N7 | C18 | doub | 1.30Å | 1.32Å | |
| N5 | C18 | sing | 1.38Å | 1.36Å | |
| N5 | C17 | sing | 1.46Å | 1.45Å | |
| O1 | C19 | doub | 1.21Å | 1.31Å | |
| C18 | N6 | sing | 1.37Å | 1.41Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | O2 | sing | 1.34Å | 1.22Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C25 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | N4 | sing | 1.47Å | 1.46Å | |
| C29 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| O | C | doub | 1.21Å | 1.23Å | |
| N4 | C12 | sing | 1.35Å | 1.34Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.51Å | 1.51Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| O3 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | C7 | sing | 1.51Å | 1.53Å | |
| C | C20 | sing | 1.51Å | 1.52Å | |
| C | N | sing | 1.35Å | 1.34Å | |
| O4 | C6 | doub | 1.21Å | 1.23Å | |
| C6 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | C1 | sing | 1.51Å | 1.53Å | |
| N2 | C7 | sing | 1.46Å | 1.45Å | |
| N | C1 | sing | 1.47Å | 1.45Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | N1 | sing | 1.47Å | 1.47Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N3 | sing | 1.47Å | 1.47Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| N2 | H7 | sing | 0.97Å | 1.00Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| N3 | H13 | sing | 1.01Å | 1.00Å | |
| N3 | H14 | sing | 1.01Å | 1.00Å | |
| C4 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.09Å | 1.10Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| N4 | H22 | sing | 0.97Å | 1.00Å | |
| N | H23 | sing | 0.97Å | 1.00Å | |
| C10 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C15 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C20 | H37 | sing | 1.09Å | 1.10Å | |
| C20 | H38 | sing | 1.09Å | 1.10Å | |
| C22 | H39 | sing | 1.08Å | 1.08Å | |
| C23 | H40 | sing | 1.08Å | 1.08Å | |
| C24 | H41 | sing | 1.08Å | 1.08Å | |
| C25 | H42 | sing | 1.08Å | 1.08Å | |
| C29 | H43 | sing | 1.08Å | 1.08Å | |
| N5 | H44 | sing | 0.97Å | 1.00Å | |
| N6 | H45 | sing | 0.97Å | 1.00Å | |
| N6 | H46 | sing | 0.97Å | 1.00Å | |
| N7 | H47 | sing | 0.97Å | 1.00Å | |
| O2 | H48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N7 | C18 | N5 | 119.5° | 120.0° |
| N7 | C18 | N6 | 125.8° | 120.0° |
| C18 | N7 | H47 | 112.0° | 120.0° |
| C18 | N5 | C17 | 120.4° | 120.0° |
| N5 | C18 | N6 | 114.7° | 120.0° |
| C18 | N5 | H44 | 119.8° | 120.0° |
| N5 | C17 | C16 | 110.6° | 109.5° |
| N5 | C17 | C19 | 111.5° | 109.5° |
| N5 | C17 | H36 | 108.5° | 109.5° |
| C17 | N5 | H44 | 119.8° | 120.0° |
| O1 | C19 | C17 | 113.0° | 120.0° |
| O1 | C19 | O2 | 124.3° | 120.0° |
| C18 | N6 | H45 | 120.0° | 120.0° |
| C18 | N6 | H46 | 120.0° | 120.0° |
| C17 | C16 | C15 | 113.0° | 109.5° |
| C16 | C17 | C19 | 110.9° | 109.5° |
| C17 | C16 | H34 | 108.6° | 109.4° |
| C17 | C16 | H35 | 108.6° | 109.5° |
| C16 | C17 | H36 | 107.6° | 109.5° |
| C16 | C15 | C14 | 113.6° | 109.5° |
| C16 | C15 | H32 | 108.4° | 109.5° |
| C16 | C15 | H33 | 108.4° | 109.4° |
| C15 | C16 | H34 | 108.6° | 109.5° |
| C15 | C16 | H35 | 108.6° | 109.5° |
| C17 | C19 | O2 | 122.7° | 120.0° |
| C19 | C17 | H36 | 107.7° | 109.4° |
| C19 | O2 | H48 | 109.5° | 117.0° |
| C15 | C14 | C13 | 112.7° | 109.5° |
| C15 | C14 | H30 | 108.7° | 109.4° |
| C15 | C14 | H31 | 108.7° | 109.4° |
| C14 | C15 | H32 | 108.4° | 109.4° |
| C14 | C15 | H33 | 108.5° | 109.5° |
| C14 | C13 | N4 | 114.2° | 109.4° |
| C14 | C13 | H28 | 108.3° | 109.5° |
| C14 | C13 | H29 | 108.3° | 109.5° |
| C13 | C14 | H30 | 108.7° | 109.5° |
| C13 | C14 | H31 | 108.7° | 109.5° |
| C29 | C25 | C24 | 118.6° | 120.0° |
| C25 | C29 | C21 | 121.5° | 120.0° |
| C29 | C25 | H42 | 120.7° | 120.0° |
| C25 | C29 | H43 | 119.2° | 120.0° |
| C25 | C24 | C23 | 120.6° | 120.0° |
| C25 | C24 | H41 | 119.7° | 120.0° |
| C24 | C25 | H42 | 120.7° | 120.0° |
| C13 | N4 | C12 | 123.3° | 120.0° |
| C13 | N4 | H22 | 118.3° | 120.0° |
| N4 | C13 | H28 | 108.3° | 109.5° |
| N4 | C13 | H29 | 108.3° | 109.5° |
| C29 | C21 | C22 | 118.6° | 120.0° |
| C29 | C21 | C20 | 120.3° | 120.0° |
| C21 | C29 | H43 | 119.3° | 120.0° |
| C24 | C23 | C22 | 120.1° | 120.0° |
| C24 | C23 | H40 | 120.0° | 120.0° |
| C23 | C24 | H41 | 119.7° | 120.0° |
| O | C | C20 | 121.8° | 120.0° |
| O | C | N | 122.8° | 120.0° |
| N4 | C12 | O3 | 122.8° | 120.0° |
| N4 | C12 | C7 | 116.9° | 120.0° |
| C12 | N4 | H22 | 118.3° | 120.0° |
| C22 | C21 | C20 | 121.1° | 120.0° |
| C21 | C22 | C23 | 120.6° | 120.0° |
| C21 | C22 | H39 | 119.7° | 120.0° |
| C21 | C20 | C | 112.9° | 109.5° |
| C21 | C20 | H37 | 108.6° | 109.5° |
| C21 | C20 | H38 | 108.6° | 109.5° |
| C23 | C22 | H39 | 119.7° | 120.0° |
| C22 | C23 | H40 | 119.9° | 120.0° |
| O3 | C12 | C7 | 120.3° | 120.0° |
| C12 | C7 | N2 | 111.2° | 109.5° |
| C12 | C7 | C8 | 109.1° | 109.5° |
| C12 | C7 | H4 | 108.3° | 109.5° |
| C20 | C | N | 115.4° | 120.0° |
| C | C20 | H37 | 108.6° | 109.5° |
| C | C20 | H38 | 108.6° | 109.5° |
| C | N | C1 | 122.9° | 120.0° |
| C | N | H23 | 118.5° | 120.0° |
| O4 | C6 | N2 | 123.3° | 120.0° |
| O4 | C6 | C1 | 120.3° | 120.0° |
| N2 | C6 | C1 | 116.4° | 120.0° |
| C6 | N2 | C7 | 122.4° | 120.0° |
| C6 | N2 | H7 | 118.8° | 119.9° |
| C6 | C1 | N | 111.7° | 109.4° |
| C6 | C1 | C2 | 109.4° | 109.5° |
| C6 | C1 | H10 | 108.0° | 109.4° |
| N2 | C7 | C8 | 110.4° | 109.4° |
| N2 | C7 | H4 | 109.3° | 109.5° |
| C7 | N2 | H7 | 118.8° | 120.1° |
| N | C1 | C2 | 110.7° | 109.5° |
| N | C1 | H10 | 109.0° | 109.5° |
| C1 | N | H23 | 118.6° | 120.0° |
| C7 | C8 | C9 | 114.5° | 109.5° |
| C8 | C7 | H4 | 108.4° | 109.5° |
| C7 | C8 | H5 | 108.2° | 109.5° |
| C7 | C8 | H6 | 108.2° | 109.4° |
| C1 | C2 | C3 | 113.9° | 109.5° |
| C2 | C1 | H10 | 108.0° | 109.5° |
| C1 | C2 | H20 | 108.3° | 109.5° |
| C1 | C2 | H21 | 108.3° | 109.5° |
| C8 | C9 | C10 | 114.4° | 109.5° |
| C9 | C8 | H5 | 108.2° | 109.5° |
| C9 | C8 | H6 | 108.2° | 109.5° |
| C8 | C9 | H8 | 108.2° | 109.4° |
| C8 | C9 | H9 | 108.2° | 109.5° |
| C2 | C3 | C4 | 112.9° | 109.5° |
| C2 | C3 | H18 | 108.6° | 109.4° |
| C2 | C3 | H19 | 108.6° | 109.5° |
| C3 | C2 | H20 | 108.3° | 109.5° |
| C3 | C2 | H21 | 108.4° | 109.4° |
| C3 | C4 | C5 | 112.4° | 109.5° |
| C3 | C4 | H16 | 108.7° | 109.5° |
| C3 | C4 | H17 | 108.7° | 109.5° |
| C4 | C3 | H18 | 108.6° | 109.4° |
| C4 | C3 | H19 | 108.6° | 109.5° |
| C9 | C10 | C11 | 111.5° | 109.5° |
| C10 | C9 | H8 | 108.2° | 109.5° |
| C10 | C9 | H9 | 108.2° | 109.5° |
| C9 | C10 | H24 | 109.0° | 109.5° |
| C9 | C10 | H25 | 109.0° | 109.5° |
| C4 | C5 | N1 | 112.4° | 109.5° |
| C4 | C5 | H11 | 108.7° | 109.5° |
| C4 | C5 | H12 | 108.7° | 109.4° |
| C5 | C4 | H16 | 108.7° | 109.5° |
| C5 | C4 | H17 | 108.7° | 109.5° |
| C5 | N1 | H1 | 109.5° | 111.0° |
| C5 | N1 | H2 | 109.5° | 111.0° |
| N1 | C5 | H11 | 108.7° | 109.5° |
| N1 | C5 | H12 | 108.7° | 109.4° |
| C10 | C11 | N3 | 114.4° | 109.5° |
| C11 | C10 | H24 | 108.9° | 109.4° |
| C11 | C10 | H25 | 108.9° | 109.5° |
| C10 | C11 | H26 | 108.2° | 109.5° |
| C10 | C11 | H27 | 108.2° | 109.5° |
| C11 | N3 | H13 | 109.5° | 111.0° |
| C11 | N3 | H14 | 109.5° | 111.0° |
| N3 | C11 | H26 | 108.2° | 109.5° |
| N3 | C11 | H27 | 108.2° | 109.5° |
| H1 | N1 | H2 | 109.5° | 111.0° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H11 | C5 | H12 | 109.5° | 109.5° |
| H13 | N3 | H14 | 109.5° | 111.0° |
| H16 | C4 | H17 | 109.5° | 109.4° |
| H18 | C3 | H19 | 109.5° | 109.5° |
| H20 | C2 | H21 | 109.5° | 109.5° |
| H24 | C10 | H25 | 109.5° | 109.4° |
| H26 | C11 | H27 | 109.5° | 109.5° |
| H28 | C13 | H29 | 109.5° | 109.5° |
| H30 | C14 | H31 | 109.4° | 109.5° |
| H32 | C15 | H33 | 109.5° | 109.5° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H37 | C20 | H38 | 109.5° | 109.5° |
| H45 | N6 | H46 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N7 | C18 | N5 | N6 | 179.7° | 180.0° |
| N7 | C18 | N5 | C17 | 178.6° | 180.0° |
| N7 | C18 | N5 | H44 | 1.4° | 0.0° |
| N7 | C18 | N6 | H45 | 179.7° | 180.0° |
| N7 | C18 | N6 | H46 | 0.3° | 0.0° |
| C18 | N5 | C17 | H44 | 180.0° | 180.0° |
| C18 | N5 | C17 | C16 | 154.0° | 155.0° |
| C18 | N5 | C17 | C19 | 82.1° | 85.0° |
| C18 | N5 | C17 | H36 | 36.3° | 35.0° |
| N5 | C18 | N6 | H45 | 0.0° | 0.0° |
| N5 | C18 | N6 | H46 | 180.0° | 180.0° |
| N5 | C18 | N7 | H47 | 179.7° | 180.0° |
| N5 | C17 | C19 | O1 | 54.8° | 0.0° |
| C17 | N5 | C18 | N6 | 1.7° | 0.0° |
| N5 | C17 | C16 | C19 | 124.2° | 120.0° |
| N5 | C17 | C16 | H36 | 118.4° | 120.0° |
| N5 | C17 | C16 | C15 | 172.2° | 65.0° |
| N5 | C17 | C19 | H36 | 118.9° | 120.0° |
| N5 | C17 | C19 | O2 | 125.1° | 180.0° |
| N5 | C17 | C16 | H34 | 67.3° | 55.0° |
| N5 | C17 | C16 | H35 | 51.7° | 175.0° |
| O1 | C19 | C17 | C16 | 68.8° | 120.1° |
| O1 | C19 | C17 | O2 | 179.9° | 179.9° |
| O1 | C19 | C17 | H36 | 173.8° | 120.0° |
| O1 | C19 | O2 | H48 | 0.0° | 0.1° |
| N6 | C18 | N5 | H44 | 178.3° | 180.0° |
| C18 | N6 | H45 | H46 | 180.0° | 180.0° |
| N6 | C18 | N7 | H47 | 0.0° | 0.0° |
| C17 | C16 | C15 | H34 | 120.5° | 120.0° |
| C17 | C16 | C15 | H35 | 120.5° | 120.0° |
| C16 | C17 | C19 | H36 | 117.4° | 120.0° |
| C16 | C17 | C19 | O2 | 111.2° | 60.0° |
| C17 | C16 | C15 | C14 | 168.3° | NaN° |
| C17 | C16 | C15 | H32 | 47.7° | 60.0° |
| C17 | C16 | C15 | H33 | 71.0° | 60.0° |
| C17 | C16 | H34 | H35 | 118.4° | 119.9° |
| C16 | C17 | N5 | H44 | 26.0° | 25.0° |
| C15 | C16 | C17 | C19 | 63.6° | 175.0° |
| C16 | C15 | C14 | H32 | 120.6° | 120.0° |
| C16 | C15 | C14 | H33 | 120.6° | 120.0° |
| C16 | C15 | C14 | C13 | 128.3° | 180.0° |
| C16 | C15 | C14 | H30 | 111.2° | 60.0° |
| C16 | C15 | C14 | H31 | 7.8° | 60.0° |
| C16 | C15 | H32 | H33 | 118.1° | 120.0° |
| C15 | C16 | H34 | H35 | 118.4° | 120.0° |
| C15 | C16 | C17 | H36 | 53.8° | 55.0° |
| C19 | C17 | C16 | H34 | 56.9° | 65.0° |
| C19 | C17 | C16 | H35 | 175.8° | 55.0° |
| C19 | C17 | N5 | H44 | 97.9° | 95.0° |
| C17 | C19 | O2 | H48 | 180.0° | 180.0° |
| O2 | C19 | C17 | H36 | 6.2° | 60.0° |
| C15 | C14 | C13 | H30 | 120.5° | 119.9° |
| C15 | C14 | C13 | H31 | 120.5° | 120.0° |
| C15 | C14 | C13 | N4 | 73.9° | 180.0° |
| C15 | C14 | C13 | H28 | 165.4° | 60.0° |
| C15 | C14 | C13 | H29 | 46.8° | 60.0° |
| C15 | C14 | H30 | H31 | 118.5° | 120.0° |
| C14 | C15 | H32 | H33 | 118.2° | 120.0° |
| C14 | C15 | C16 | H34 | 71.1° | 60.0° |
| C14 | C15 | C16 | H35 | 47.8° | 60.0° |
| C14 | C13 | N4 | H28 | 120.7° | 120.0° |
| C14 | C13 | N4 | H29 | 120.7° | 120.0° |
| C14 | C13 | N4 | C12 | 83.4° | 180.0° |
| C14 | C13 | N4 | H22 | 96.6° | 0.0° |
| C14 | C13 | H28 | H29 | 117.8° | 120.1° |
| C13 | C14 | H30 | H31 | 118.5° | 120.1° |
| C13 | C14 | C15 | H32 | 7.7° | 60.0° |
| C13 | C14 | C15 | H33 | 111.1° | 60.0° |
| C29 | C25 | C24 | H42 | 180.0° | 179.5° |
| C25 | C29 | C21 | H43 | 180.0° | 179.4° |
| C29 | C25 | C24 | C23 | 0.1° | 0.2° |
| C25 | C29 | C21 | C22 | 0.1° | 0.6° |
| C25 | C29 | C21 | C20 | 179.7° | 179.7° |
| C29 | C25 | C24 | H41 | 179.9° | 179.8° |
| C24 | C25 | C29 | C21 | 0.2° | 0.6° |
| C25 | C24 | C23 | H41 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.0° | 0.1° |
| C25 | C24 | C23 | H40 | 179.9° | 180.0° |
| C24 | C25 | C29 | H43 | 179.8° | 180.0° |
| C13 | N4 | C12 | H22 | 180.0° | 180.0° |
| C13 | N4 | C12 | O3 | 97.0° | 0.0° |
| C13 | N4 | C12 | C7 | 84.9° | 180.0° |
| N4 | C13 | H28 | H29 | 117.8° | 120.0° |
| N4 | C13 | C14 | H30 | 46.6° | 60.1° |
| N4 | C13 | C14 | H31 | 165.6° | 60.0° |
| C29 | C21 | C22 | C20 | 179.6° | 179.7° |
| C29 | C21 | C22 | C23 | 0.0° | 0.3° |
| C29 | C21 | C20 | C | 114.8° | 90.3° |
| C29 | C21 | C20 | H37 | 124.7° | 149.7° |
| C29 | C21 | C20 | H38 | 5.7° | 29.7° |
| C29 | C21 | C22 | H39 | 180.0° | 179.7° |
| C21 | C29 | C25 | H42 | 179.8° | 180.0° |
| C24 | C23 | C22 | C21 | 0.1° | 0.0° |
| C24 | C23 | C22 | H40 | 180.0° | 179.9° |
| C24 | C23 | C22 | H39 | 179.9° | 179.9° |
| C23 | C24 | C25 | H42 | 179.9° | 179.7° |
| O | C | C20 | C21 | 55.1° | 0.0° |
| O | C | C20 | N | 179.6° | 180.0° |
| O | C | N | C1 | 3.0° | 0.0° |
| O | C | N | H23 | 176.9° | 180.0° |
| O | C | C20 | H37 | 175.6° | 120.0° |
| O | C | C20 | H38 | 65.4° | 120.0° |
| N4 | C12 | O3 | C7 | 178.0° | 180.0° |
| N4 | C12 | C7 | N2 | 115.5° | 180.0° |
| N4 | C12 | C7 | C8 | 122.5° | 60.0° |
| N4 | C12 | C7 | H4 | 4.7° | 60.0° |
| C12 | N4 | C13 | H28 | 155.9° | 60.0° |
| C12 | N4 | C13 | H29 | 37.3° | 60.0° |
| C21 | C22 | C23 | H39 | 180.0° | 180.0° |
| C22 | C21 | C20 | C | 65.6° | 90.0° |
| C22 | C21 | C20 | H37 | 54.9° | 30.0° |
| C22 | C21 | C20 | H38 | 173.9° | 150.0° |
| C21 | C22 | C23 | H40 | 179.9° | 179.9° |
| C22 | C21 | C29 | H43 | 179.9° | 180.0° |
| C20 | C21 | C22 | C23 | 179.6° | 180.0° |
| C21 | C20 | C | H37 | 120.5° | 120.0° |
| C21 | C20 | C | H38 | 120.5° | 120.0° |
| C21 | C20 | C | N | 125.3° | 180.0° |
| C21 | C20 | H37 | H38 | 118.4° | 120.0° |
| C20 | C21 | C22 | H39 | 0.5° | 0.0° |
| C20 | C21 | C29 | H43 | 0.3° | 0.3° |
| C22 | C23 | C24 | H41 | 180.0° | 180.0° |
| O3 | C12 | C7 | N2 | 66.4° | 0.0° |
| O3 | C12 | C7 | C8 | 55.6° | 120.0° |
| O3 | C12 | C7 | H4 | 173.4° | 120.0° |
| O3 | C12 | N4 | H22 | 83.0° | 180.0° |
| C12 | C7 | N2 | C6 | 121.4° | 155.0° |
| C12 | C7 | N2 | C8 | 121.3° | 120.0° |
| C12 | C7 | N2 | H4 | 119.6° | 120.0° |
| C12 | C7 | C8 | H4 | 117.8° | 120.0° |
| C12 | C7 | C8 | C9 | 172.6° | 175.0° |
| C12 | C7 | C8 | H5 | 51.9° | 64.9° |
| C12 | C7 | C8 | H6 | 66.6° | 55.0° |
| C12 | C7 | N2 | H7 | 58.6° | 25.0° |
| C7 | C12 | N4 | H22 | 95.1° | 0.0° |
| C20 | C | N | C1 | 177.4° | 180.0° |
| C20 | C | N | H23 | 2.6° | 0.1° |
| C | C20 | H37 | H38 | 118.4° | 120.0° |
| C | N | C1 | C6 | 91.5° | 155.0° |
| C | N | C1 | H23 | 180.0° | 179.9° |
| C | N | C1 | C2 | 146.3° | 85.0° |
| C | N | C1 | H10 | 27.7° | 35.0° |
| N | C | C20 | H37 | 4.8° | 60.0° |
| N | C | C20 | H38 | 114.2° | 60.0° |
| O4 | C6 | N2 | C1 | 179.9° | 179.9° |
| O4 | C6 | N2 | C7 | 13.3° | 0.0° |
| O4 | C6 | C1 | N | 171.1° | 0.0° |
| O4 | C6 | C1 | C2 | 66.0° | 119.9° |
| O4 | C6 | N2 | H7 | 166.7° | 180.0° |
| O4 | C6 | C1 | H10 | 51.3° | 120.0° |
| C6 | N2 | C7 | H7 | 180.0° | 180.0° |
| N2 | C6 | C1 | N | 9.1° | 180.0° |
| C6 | N2 | C7 | C8 | 117.3° | 85.0° |
| N2 | C6 | C1 | C2 | 113.9° | 60.0° |
| C6 | N2 | C7 | H4 | 1.8° | 35.0° |
| N2 | C6 | C1 | H10 | 128.8° | 60.1° |
| C1 | C6 | N2 | C7 | 166.6° | 180.0° |
| C6 | C1 | N | C2 | 122.2° | 120.0° |
| C6 | C1 | N | H10 | 119.2° | 120.0° |
| C6 | C1 | C2 | H10 | 117.3° | 120.0° |
| C6 | C1 | C2 | C3 | 163.1° | 175.0° |
| C1 | C6 | N2 | H7 | 13.4° | 0.1° |
| C6 | C1 | C2 | H20 | 76.3° | 65.0° |
| C6 | C1 | C2 | H21 | 42.4° | 55.0° |
| C6 | C1 | N | H23 | 88.5° | 25.0° |
| N2 | C7 | C8 | H4 | 119.7° | 120.0° |
| N2 | C7 | C8 | C9 | 50.1° | 65.0° |
| N2 | C7 | C8 | H5 | 70.6° | 55.1° |
| N2 | C7 | C8 | H6 | 170.9° | 175.0° |
| N | C1 | C2 | H10 | 119.2° | 120.0° |
| N | C1 | C2 | C3 | 73.4° | 65.0° |
| N | C1 | C2 | H20 | 47.2° | 55.0° |
| N | C1 | C2 | H21 | 165.9° | 175.0° |
| C7 | C8 | C9 | H5 | 120.7° | 120.1° |
| C7 | C8 | C9 | H6 | 120.8° | 119.9° |
| C7 | C8 | C9 | C10 | 78.8° | 180.0° |
| C7 | C8 | H5 | H6 | 117.7° | 119.9° |
| C8 | C7 | N2 | H7 | 62.6° | 95.0° |
| C7 | C8 | C9 | H8 | 41.9° | 60.0° |
| C7 | C8 | C9 | H9 | 160.4° | 60.0° |
| C1 | C2 | C3 | H20 | 120.6° | 120.0° |
| C1 | C2 | C3 | H21 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 173.3° | 180.0° |
| C1 | C2 | C3 | H18 | 66.2° | 60.1° |
| C1 | C2 | C3 | H19 | 52.8° | 60.0° |
| C1 | C2 | H20 | H21 | 117.9° | 120.1° |
| C2 | C1 | N | H23 | 33.7° | 95.0° |
| C8 | C9 | C10 | H8 | 120.8° | 120.0° |
| C8 | C9 | C10 | H9 | 120.7° | 120.0° |
| C8 | C9 | C10 | C11 | 178.9° | 180.0° |
| C9 | C8 | C7 | H4 | 69.6° | 54.9° |
| C9 | C8 | H5 | H6 | 117.7° | 120.0° |
| C8 | C9 | H8 | H9 | 117.7° | 120.0° |
| C8 | C9 | C10 | H24 | 60.8° | 60.0° |
| C8 | C9 | C10 | H25 | 58.6° | 60.0° |
| C2 | C3 | C4 | H18 | 120.5° | 119.9° |
| C2 | C3 | C4 | H19 | 120.5° | 120.0° |
| C2 | C3 | C4 | C5 | 175.8° | 180.0° |
| C3 | C2 | C1 | H10 | 45.8° | 55.0° |
| C2 | C3 | C4 | H16 | 55.4° | 60.0° |
| C2 | C3 | C4 | H17 | 63.8° | 60.0° |
| C2 | C3 | H18 | H19 | 118.4° | 120.0° |
| C3 | C2 | H20 | H21 | 118.0° | 119.9° |
| C3 | C4 | C5 | H16 | 120.4° | 120.0° |
| C3 | C4 | C5 | H17 | 120.4° | 120.0° |
| C3 | C4 | C5 | N1 | 178.3° | 180.0° |
| C3 | C4 | C5 | H11 | 61.3° | 60.0° |
| C3 | C4 | C5 | H12 | 57.8° | 60.0° |
| C3 | C4 | H16 | H17 | 118.7° | 120.0° |
| C4 | C3 | H18 | H19 | 118.4° | 120.0° |
| C4 | C3 | C2 | H20 | 52.7° | 60.0° |
| C4 | C3 | C2 | H21 | 66.1° | 60.0° |
| C9 | C10 | C11 | H24 | 120.3° | 120.0° |
| C9 | C10 | C11 | H25 | 120.3° | 120.0° |
| C9 | C10 | C11 | N3 | 165.6° | 180.0° |
| C10 | C9 | C8 | H5 | 160.4° | 60.0° |
| C10 | C9 | C8 | H6 | 41.9° | 60.0° |
| C10 | C9 | H8 | H9 | 117.8° | 120.0° |
| C9 | C10 | H24 | H25 | 119.1° | 120.0° |
| C9 | C10 | C11 | H26 | 73.7° | 60.0° |
| C9 | C10 | C11 | H27 | 44.9° | 60.0° |
| C4 | C5 | N1 | H11 | 120.5° | 120.0° |
| C4 | C5 | N1 | H12 | 120.4° | 119.9° |
| C4 | C5 | N1 | H1 | 180.0° | 180.0° |
| C4 | C5 | N1 | H2 | 60.0° | 56.1° |
| C4 | C5 | H11 | H12 | 118.6° | 120.0° |
| C5 | C4 | H16 | H17 | 118.7° | 120.0° |
| C5 | C4 | C3 | H18 | 63.7° | 60.0° |
| C5 | C4 | C3 | H19 | 55.3° | 60.0° |
| C5 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | C5 | H11 | H12 | 118.6° | 120.0° |
| N1 | C5 | C4 | H16 | 57.8° | 60.0° |
| N1 | C5 | C4 | H17 | 61.3° | 60.0° |
| C10 | C11 | N3 | H26 | 120.7° | 120.0° |
| C10 | C11 | N3 | H27 | 120.7° | 120.0° |
| C11 | C10 | C9 | H8 | 58.2° | 60.1° |
| C11 | C10 | C9 | H9 | 60.4° | 60.0° |
| C10 | C11 | N3 | H13 | 180.0° | 180.0° |
| C10 | C11 | N3 | H14 | 60.0° | 56.0° |
| C11 | C10 | H24 | H25 | 119.0° | 120.0° |
| C10 | C11 | H26 | H27 | 117.8° | 120.0° |
| C11 | N3 | H13 | H14 | 120.0° | 124.0° |
| N3 | C11 | C10 | H24 | 45.3° | 60.0° |
| N3 | C11 | C10 | H25 | 74.1° | 60.0° |
| N3 | C11 | H26 | H27 | 117.8° | 120.0° |
| H1 | N1 | C5 | H11 | 59.5° | 60.0° |
| H1 | N1 | C5 | H12 | 59.6° | 60.0° |
| H2 | N1 | C5 | H11 | 179.6° | 63.9° |
| H2 | N1 | C5 | H12 | 60.5° | 176.1° |
| H4 | C7 | C8 | H5 | 169.7° | 175.0° |
| H4 | C7 | C8 | H6 | 51.1° | 65.0° |
| H4 | C7 | N2 | H7 | 178.2° | 145.0° |
| H5 | C8 | C9 | H8 | 78.8° | 180.0° |
| H5 | C8 | C9 | H9 | 39.7° | 60.0° |
| H6 | C8 | C9 | H8 | 162.6° | 60.0° |
| H6 | C8 | C9 | H9 | 78.8° | 179.9° |
| H8 | C9 | C10 | H24 | 178.5° | 179.9° |
| H8 | C9 | C10 | H25 | 62.1° | 60.0° |
| H9 | C9 | C10 | H24 | 59.9° | 60.0° |
| H9 | C9 | C10 | H25 | 179.3° | 180.0° |
| H10 | C1 | C2 | H20 | 166.5° | 175.0° |
| H10 | C1 | C2 | H21 | 74.8° | 65.0° |
| H10 | C1 | N | H23 | 152.4° | 144.9° |
| H11 | C5 | C4 | H16 | 178.3° | 180.0° |
| H11 | C5 | C4 | H17 | 59.1° | 60.0° |
| H12 | C5 | C4 | H16 | 62.6° | 60.0° |
| H12 | C5 | C4 | H17 | 178.3° | 179.9° |
| H13 | N3 | C11 | H26 | 59.3° | 60.0° |
| H13 | N3 | C11 | H27 | 59.3° | 60.0° |
| H14 | N3 | C11 | H26 | 179.3° | 64.0° |
| H14 | N3 | C11 | H27 | 60.7° | 176.0° |
| H16 | C4 | C3 | H18 | 175.9° | 180.0° |
| H16 | C4 | C3 | H19 | 65.2° | 60.0° |
| H17 | C4 | C3 | H18 | 56.7° | 60.0° |
| H17 | C4 | C3 | H19 | 175.7° | 180.0° |
| H18 | C3 | C2 | H20 | 173.2° | 60.0° |
| H18 | C3 | C2 | H21 | 54.4° | 179.9° |
| H19 | C3 | C2 | H20 | 67.9° | 180.0° |
| H19 | C3 | C2 | H21 | 173.4° | 60.0° |
| H22 | N4 | C13 | H28 | 24.1° | 120.0° |
| H22 | N4 | C13 | H29 | 142.7° | 120.1° |
| H24 | C10 | C11 | H26 | 166.0° | 60.1° |
| H24 | C10 | C11 | H27 | 75.4° | 179.9° |
| H25 | C10 | C11 | H26 | 46.6° | 180.0° |
| H25 | C10 | C11 | H27 | 165.2° | 60.0° |
| H28 | C13 | C14 | H30 | 74.1° | 180.0° |
| H28 | C13 | C14 | H31 | 44.9° | 60.0° |
| H29 | C13 | C14 | H30 | 167.3° | 59.9° |
| H29 | C13 | C14 | H31 | 73.7° | 180.0° |
| H30 | C14 | C15 | H32 | 128.2° | 180.0° |
| H30 | C14 | C15 | H33 | 9.4° | 60.0° |
| H31 | C14 | C15 | H32 | 112.8° | 60.0° |
| H31 | C14 | C15 | H33 | 128.4° | 180.0° |
| H32 | C15 | C16 | H34 | 168.2° | 180.0° |
| H32 | C15 | C16 | H35 | 72.8° | 60.0° |
| H33 | C15 | C16 | H34 | 49.5° | 60.0° |
| H33 | C15 | C16 | H35 | 168.5° | 180.0° |
| H34 | C16 | C17 | H36 | 174.3° | 175.0° |
| H35 | C16 | C17 | H36 | 66.7° | 65.0° |
| H36 | C17 | N5 | H44 | 143.7° | 145.0° |
| H39 | C22 | C23 | H40 | 0.1° | 0.0° |
| H40 | C23 | C24 | H41 | 0.1° | 0.1° |
| H41 | C24 | C25 | H42 | 0.1° | 0.3° |
| H42 | C25 | C29 | H43 | 0.2° | 0.5° |
