XN1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.52Å | |
| N1 | C9 | sing | 1.47Å | 1.43Å | |
| N1 | C31 | sing | 1.47Å | 1.47Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11A | sing | 1.09Å | 1.12Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.51Å | 1.49Å | |
| C2 | N3 | sing | 1.47Å | 1.55Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C4 | sing | 1.47Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.40Å | |
| C4 | C7 | sing | 1.53Å | 1.49Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.12Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| N3 | C8 | sing | 1.47Å | 1.50Å | |
| N3 | C10 | sing | 1.47Å | 1.49Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O2 | sing | 1.43Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.60Å | |
| C13 | C21 | sing | 1.51Å | 1.57Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | C37 | sing | 1.53Å | 1.52Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | doub | 1.38Å | 1.47Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.47Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.45Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | O3 | doub | 1.21Å | 1.29Å | |
| C21 | N4 | sing | 1.35Å | 1.32Å | |
| N4 | C22 | sing | 1.46Å | 1.45Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C22 | C23 | sing | 1.54Å | 1.52Å | |
| C22 | C30 | sing | 1.51Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.12Å | |
| C23 | O4 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.54Å | 1.50Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.59Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.44Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.45Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | doub | 1.38Å | 1.44Å | Aromatic |
| C32 | C36 | sing | 1.39Å | 1.44Å | Aromatic |
| C33 | N5 | sing | 1.32Å | 1.46Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| N5 | C34 | doub | 1.32Å | 1.45Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.44Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | C36 | doub | 1.39Å | 1.45Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C37 | H373 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C9 | 108.8° | 106.9° |
| C1 | N1 | C31 | 113.4° | 106.7° |
| N1 | C1 | C2 | 116.8° | 109.6° |
| N1 | C1 | H11A | 109.6° | 109.4° |
| N1 | C1 | H12 | 109.5° | 109.5° |
| C9 | N1 | C31 | 109.6° | 106.8° |
| N1 | C9 | C8 | 115.0° | 109.7° |
| N1 | C9 | H91 | 110.2° | 109.4° |
| N1 | C9 | H92 | 110.2° | 109.4° |
| N1 | C31 | C32 | 118.6° | 109.5° |
| N1 | C31 | H311 | 108.9° | 109.5° |
| N1 | C31 | H312 | 108.9° | 109.5° |
| C2 | C1 | H11A | 109.6° | 109.4° |
| C2 | C1 | H12 | 109.5° | 109.4° |
| C1 | C2 | C3 | 106.1° | 109.4° |
| C1 | C2 | N3 | 102.2° | 109.6° |
| C1 | C2 | H2 | 119.1° | 109.5° |
| H11A | C1 | H12 | 100.6° | 109.5° |
| C3 | C2 | N3 | 117.3° | 109.4° |
| C3 | C2 | H2 | 104.5° | 109.4° |
| C2 | C3 | O1 | 119.4° | 120.0° |
| C2 | C3 | N2 | 117.2° | 120.0° |
| N3 | C2 | H2 | 108.3° | 109.4° |
| C2 | N3 | C8 | 117.6° | 106.9° |
| C2 | N3 | C10 | 114.1° | 106.7° |
| O1 | C3 | N2 | 123.4° | 120.0° |
| C3 | N2 | C4 | 131.0° | 120.0° |
| C3 | N2 | HN2 | 108.9° | 120.0° |
| C4 | N2 | HN2 | 120.1° | 119.9° |
| N2 | C4 | C5 | 108.8° | 109.5° |
| N2 | C4 | C6 | 112.9° | 109.5° |
| N2 | C4 | C7 | 114.2° | 109.4° |
| C5 | C4 | C6 | 105.7° | 109.5° |
| C5 | C4 | C7 | 106.0° | 109.5° |
| C4 | C5 | H51 | 112.5° | 109.4° |
| C4 | C5 | H52 | 108.8° | 109.5° |
| C4 | C5 | H53 | 112.4° | 109.5° |
| C6 | C4 | C7 | 108.7° | 109.5° |
| C4 | C6 | H61 | 111.0° | 109.5° |
| C4 | C6 | H62 | 112.9° | 109.5° |
| C4 | C6 | H63 | 111.0° | 109.5° |
| C4 | C7 | H71 | 110.5° | 109.4° |
| C4 | C7 | H72 | 114.2° | 109.5° |
| C4 | C7 | H73 | 110.5° | 109.5° |
| H51 | C5 | H52 | 112.4° | 109.4° |
| H51 | C5 | H53 | 98.0° | 109.5° |
| H52 | C5 | H53 | 112.5° | 109.5° |
| H61 | C6 | H62 | 110.9° | 109.5° |
| H61 | C6 | H63 | 99.4° | 109.5° |
| H62 | C6 | H63 | 110.9° | 109.5° |
| H71 | C7 | H72 | 110.5° | 109.4° |
| H71 | C7 | H73 | 99.8° | 109.5° |
| H72 | C7 | H73 | 110.5° | 109.5° |
| C8 | N3 | C10 | 106.0° | 106.7° |
| N3 | C8 | C9 | 109.4° | 109.6° |
| N3 | C8 | H81 | 112.2° | 109.5° |
| N3 | C8 | H82 | 112.2° | 109.4° |
| N3 | C10 | C11 | 110.7° | 109.5° |
| N3 | C10 | H101 | 111.8° | 109.5° |
| N3 | C10 | H102 | 111.8° | 109.5° |
| C9 | C8 | H81 | 112.2° | 109.4° |
| C9 | C8 | H82 | 112.3° | 109.5° |
| C8 | C9 | H91 | 110.2° | 109.5° |
| C8 | C9 | H92 | 110.2° | 109.5° |
| H81 | C8 | H82 | 98.2° | 109.4° |
| H91 | C9 | H92 | 100.1° | 109.4° |
| C11 | C10 | H101 | 111.8° | 109.5° |
| C11 | C10 | H102 | 111.8° | 109.4° |
| C10 | C11 | O2 | 93.6° | 109.4° |
| C10 | C11 | C12 | 121.4° | 109.4° |
| C10 | C11 | H11 | 111.3° | 109.4° |
| H101 | C10 | H102 | 98.6° | 109.5° |
| O2 | C11 | C12 | 105.3° | 109.5° |
| O2 | C11 | H11 | 126.1° | 109.5° |
| C11 | O2 | HO2 | 93.6° | 106.8° |
| C12 | C11 | H11 | 100.9° | 109.6° |
| C11 | C12 | C13 | 121.1° | 109.4° |
| C11 | C12 | H121 | 108.1° | 109.5° |
| C11 | C12 | H122 | 108.1° | 109.5° |
| C13 | C12 | H121 | 108.0° | 109.4° |
| C13 | C12 | H122 | 108.0° | 109.5° |
| C12 | C13 | C14 | 110.0° | 109.5° |
| C12 | C13 | C21 | 112.2° | 109.5° |
| C12 | C13 | H13 | 106.6° | 109.4° |
| H121 | C12 | H122 | 101.9° | 109.5° |
| C14 | C13 | C21 | 107.5° | 109.5° |
| C14 | C13 | H13 | 111.4° | 109.4° |
| C13 | C14 | C15 | 111.2° | 109.5° |
| C13 | C14 | C37 | 124.1° | 109.4° |
| C13 | C14 | H141 | 95.9° | 109.5° |
| C21 | C13 | H13 | 109.2° | 109.5° |
| C13 | C21 | O3 | 124.1° | 120.0° |
| C13 | C21 | N4 | 111.5° | 120.0° |
| C15 | C14 | C37 | 106.8° | 109.5° |
| C15 | C14 | H141 | 117.4° | 109.5° |
| C14 | C15 | C16 | 121.7° | 120.0° |
| C14 | C15 | C20 | 118.0° | 120.0° |
| C37 | C14 | H141 | 101.4° | 109.4° |
| C14 | C37 | H371 | 107.0° | 109.5° |
| C14 | C37 | H372 | 124.1° | 109.5° |
| C14 | C37 | H373 | 107.0° | 109.4° |
| C16 | C15 | C20 | 120.3° | 120.0° |
| C15 | C16 | C17 | 119.6° | 120.0° |
| C15 | C16 | H16 | 121.3° | 120.1° |
| C15 | C20 | C19 | 120.4° | 120.0° |
| C15 | C20 | H20 | 120.5° | 120.0° |
| C17 | C16 | H16 | 119.0° | 119.9° |
| C16 | C17 | C18 | 119.2° | 119.9° |
| C16 | C17 | H17 | 119.4° | 120.0° |
| C18 | C17 | H17 | 121.4° | 120.0° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C17 | C18 | H18 | 120.2° | 119.9° |
| C19 | C18 | H18 | 119.2° | 120.0° |
| C18 | C19 | C20 | 119.9° | 120.0° |
| C18 | C19 | H19 | 121.0° | 120.1° |
| C20 | C19 | H19 | 119.1° | 119.9° |
| C19 | C20 | H20 | 119.2° | 120.0° |
| O3 | C21 | N4 | 124.4° | 120.0° |
| C21 | N4 | C22 | 124.5° | 120.0° |
| C21 | N4 | HN4 | 112.5° | 120.1° |
| C22 | N4 | HN4 | 123.1° | 120.0° |
| N4 | C22 | C23 | 111.8° | 110.3° |
| N4 | C22 | C30 | 119.0° | 110.2° |
| N4 | C22 | H22 | 98.9° | 110.3° |
| C23 | C22 | C30 | 102.2° | 105.2° |
| C23 | C22 | H22 | 116.7° | 110.3° |
| C22 | C23 | O4 | 111.3° | 110.8° |
| C22 | C23 | C24 | 105.0° | 102.4° |
| C22 | C23 | H23 | 113.1° | 110.8° |
| C30 | C22 | H22 | 109.1° | 110.3° |
| C22 | C30 | C25 | 109.7° | 109.6° |
| C22 | C30 | C29 | 133.4° | 130.5° |
| O4 | C23 | C24 | 114.4° | 111.0° |
| O4 | C23 | H23 | 103.4° | 110.7° |
| C23 | O4 | HO4 | 111.3° | 106.8° |
| C24 | C23 | H23 | 109.9° | 110.8° |
| C23 | C24 | C25 | 108.9° | 105.2° |
| C23 | C24 | H241 | 112.4° | 110.3° |
| C23 | C24 | H242 | 112.4° | 110.3° |
| C25 | C24 | H241 | 112.4° | 110.3° |
| C25 | C24 | H242 | 112.4° | 110.3° |
| C24 | C25 | C26 | 138.0° | 130.4° |
| C24 | C25 | C30 | 101.2° | 109.8° |
| H241 | C24 | H242 | 98.0° | 110.3° |
| C26 | C25 | C30 | 120.8° | 119.8° |
| C25 | C26 | C27 | 118.2° | 120.2° |
| C25 | C26 | H26 | 119.4° | 119.9° |
| C25 | C30 | C29 | 117.0° | 119.9° |
| C27 | C26 | H26 | 122.4° | 119.9° |
| C26 | C27 | C28 | 121.4° | 119.9° |
| C26 | C27 | H27 | 118.7° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | C29 | 121.2° | 119.9° |
| C27 | C28 | H28 | 121.0° | 120.1° |
| C29 | C28 | H28 | 117.8° | 120.0° |
| C28 | C29 | C30 | 121.5° | 120.3° |
| C28 | C29 | H29 | 120.1° | 119.9° |
| C30 | C29 | H29 | 118.4° | 119.8° |
| C32 | C31 | H311 | 108.9° | 109.5° |
| C32 | C31 | H312 | 108.9° | 109.4° |
| C31 | C32 | C33 | 122.6° | 120.4° |
| C31 | C32 | C36 | 118.7° | 120.4° |
| H311 | C31 | H312 | 101.2° | 109.5° |
| C33 | C32 | C36 | 118.7° | 119.2° |
| C32 | C33 | N5 | 124.4° | 120.7° |
| C32 | C33 | H33 | 117.2° | 119.6° |
| C32 | C36 | C35 | 120.0° | 118.4° |
| C32 | C36 | H36 | 119.6° | 120.8° |
| N5 | C33 | H33 | 118.5° | 119.6° |
| C33 | N5 | C34 | 113.8° | 121.7° |
| N5 | C34 | C35 | 124.5° | 120.8° |
| N5 | C34 | H34 | 118.2° | 119.6° |
| C35 | C34 | H34 | 117.3° | 119.6° |
| C34 | C35 | C36 | 118.5° | 119.2° |
| C34 | C35 | H35 | 120.3° | 120.4° |
| C36 | C35 | H35 | 121.2° | 120.4° |
| C35 | C36 | H36 | 120.4° | 120.8° |
| H371 | C37 | H372 | 107.0° | 109.6° |
| H371 | C37 | H373 | 102.7° | 109.5° |
| H372 | C37 | H373 | 107.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C9 | C31 | 124.5° | 113.9° |
| N1 | C1 | C2 | H11A | 125.3° | 120.0° |
| N1 | C1 | C2 | H12 | 125.2° | 120.1° |
| N1 | C1 | H11A | H12 | 115.3° | 120.0° |
| N1 | C1 | C2 | C3 | 179.4° | 177.0° |
| N1 | C1 | C2 | N3 | 56.0° | 63.0° |
| N1 | C1 | C2 | H2 | 63.3° | 57.1° |
| C1 | N1 | C9 | C8 | 53.9° | 61.3° |
| C1 | N1 | C9 | H91 | 179.2° | 178.7° |
| C1 | N1 | C9 | H92 | 71.3° | 58.9° |
| C1 | N1 | C31 | C32 | 58.4° | 47.8° |
| C1 | N1 | C31 | H311 | 66.8° | 72.2° |
| C1 | N1 | C31 | H312 | 176.3° | 167.7° |
| C9 | N1 | C1 | C2 | 59.9° | 61.2° |
| C9 | N1 | C1 | H11A | 65.4° | 178.8° |
| C9 | N1 | C1 | H12 | 174.9° | 58.8° |
| N1 | C9 | C8 | N3 | 51.3° | 63.0° |
| N1 | C9 | C8 | H91 | 125.3° | 120.1° |
| N1 | C9 | C8 | H92 | 125.3° | 120.1° |
| N1 | C9 | C8 | H81 | 176.6° | 57.1° |
| N1 | C9 | C8 | H82 | 73.9° | 177.0° |
| N1 | C9 | H91 | H92 | 116.0° | 119.8° |
| C9 | N1 | C31 | C32 | 179.8° | 66.2° |
| C9 | N1 | C31 | H311 | 55.0° | 173.8° |
| C9 | N1 | C31 | H312 | 54.5° | 53.7° |
| C31 | N1 | C1 | C2 | 177.8° | 175.1° |
| C31 | N1 | C1 | H11A | 56.9° | 64.9° |
| C31 | N1 | C1 | H12 | 52.6° | 55.1° |
| C31 | N1 | C9 | C8 | 178.4° | 175.1° |
| C31 | N1 | C9 | H91 | 56.3° | 64.8° |
| C31 | N1 | C9 | H92 | 53.1° | 55.0° |
| N1 | C31 | C32 | H311 | 125.2° | 120.0° |
| N1 | C31 | C32 | H312 | 125.2° | 120.0° |
| N1 | C31 | H311 | H312 | 114.6° | 120.1° |
| N1 | C31 | C32 | C33 | 63.9° | 90.2° |
| N1 | C31 | C32 | C36 | 115.9° | 90.0° |
| C2 | C1 | H11A | H12 | 115.3° | 119.9° |
| C1 | C2 | C3 | N3 | 113.3° | 120.1° |
| C1 | C2 | C3 | H2 | 126.7° | 120.0° |
| C1 | C2 | N3 | H2 | 126.6° | 120.1° |
| C1 | C2 | C3 | O1 | 76.8° | 120.0° |
| C1 | C2 | C3 | N2 | 103.3° | 60.0° |
| C1 | C2 | N3 | C8 | 53.0° | 61.3° |
| C1 | C2 | N3 | C10 | 178.0° | 175.1° |
| H11A | C1 | C2 | C3 | 54.1° | 57.0° |
| H11A | C1 | C2 | N3 | 69.3° | 177.0° |
| H11A | C1 | C2 | H2 | 171.5° | 62.9° |
| H12 | C1 | C2 | C3 | 55.4° | 62.9° |
| H12 | C1 | C2 | N3 | 178.8° | 57.1° |
| H12 | C1 | C2 | H2 | 62.0° | 177.1° |
| C3 | C2 | N3 | H2 | 117.9° | 119.9° |
| C2 | C3 | O1 | N2 | 180.0° | 180.0° |
| C2 | C3 | N2 | C4 | 179.7° | 180.0° |
| C2 | C3 | N2 | HN2 | 0.3° | 0.0° |
| C3 | C2 | N3 | C8 | 168.5° | 178.7° |
| C3 | C2 | N3 | C10 | 66.4° | 64.9° |
| N3 | C2 | C3 | O1 | 36.5° | 0.1° |
| N3 | C2 | C3 | N2 | 143.4° | 179.8° |
| C2 | N3 | C8 | C10 | 129.0° | 113.8° |
| C2 | N3 | C8 | C9 | 52.2° | 61.2° |
| C2 | N3 | C8 | H81 | 177.4° | 58.8° |
| C2 | N3 | C8 | H82 | 73.1° | 178.7° |
| C2 | N3 | C10 | C11 | 129.9° | 173.0° |
| C2 | N3 | C10 | H101 | 4.7° | 67.0° |
| C2 | N3 | C10 | H102 | 104.8° | 53.1° |
| H2 | C2 | C3 | O1 | 156.5° | 120.0° |
| H2 | C2 | C3 | N2 | 23.5° | 59.9° |
| H2 | C2 | N3 | C8 | 73.6° | 58.8° |
| H2 | C2 | N3 | C10 | 51.5° | 55.0° |
| O1 | C3 | N2 | C4 | 0.3° | 0.0° |
| O1 | C3 | N2 | HN2 | 179.8° | 180.0° |
| C3 | N2 | C4 | HN2 | 180.0° | 180.0° |
| C3 | N2 | C4 | C5 | 179.3° | 180.0° |
| C3 | N2 | C4 | C6 | 63.6° | 60.0° |
| C3 | N2 | C4 | C7 | 61.2° | 60.0° |
| N2 | C4 | C5 | C6 | 121.5° | 120.0° |
| N2 | C4 | C5 | C7 | 123.2° | 120.0° |
| N2 | C4 | C6 | C7 | 127.7° | 120.0° |
| N2 | C4 | C5 | H51 | 54.8° | 180.0° |
| N2 | C4 | C5 | H52 | 180.0° | 60.0° |
| N2 | C4 | C5 | H53 | 54.7° | 60.0° |
| N2 | C4 | C6 | H61 | 54.8° | 60.0° |
| N2 | C4 | C6 | H62 | 180.0° | 60.0° |
| N2 | C4 | C6 | H63 | 54.7° | 180.0° |
| N2 | C4 | C7 | H71 | 54.7° | 60.0° |
| N2 | C4 | C7 | H72 | 180.0° | 179.9° |
| N2 | C4 | C7 | H73 | 54.8° | 60.0° |
| HN2 | N2 | C4 | C5 | 0.7° | 0.0° |
| HN2 | N2 | C4 | C6 | 116.3° | 120.0° |
| HN2 | N2 | C4 | C7 | 118.9° | 120.0° |
| C5 | C4 | C6 | C7 | 113.4° | 120.1° |
| C4 | C5 | H51 | H52 | 123.2° | 119.9° |
| C4 | C5 | H51 | H53 | 118.4° | 120.0° |
| C4 | C5 | H52 | H53 | 125.2° | 120.0° |
| C5 | C4 | C6 | H61 | 64.1° | 60.0° |
| C5 | C4 | C6 | H62 | 61.2° | 180.0° |
| C5 | C4 | C6 | H63 | 173.6° | 60.1° |
| C5 | C4 | C7 | H71 | 174.5° | 60.0° |
| C5 | C4 | C7 | H72 | 60.3° | 60.0° |
| C5 | C4 | C7 | H73 | 65.0° | 180.0° |
| C6 | C4 | C5 | H51 | 176.3° | 60.1° |
| C6 | C4 | C5 | H52 | 58.5° | 180.0° |
| C6 | C4 | C5 | H53 | 66.8° | 60.0° |
| C4 | C6 | H61 | H62 | 126.4° | 120.0° |
| C4 | C6 | H61 | H63 | 116.8° | 120.0° |
| C4 | C6 | H62 | H63 | 125.3° | 120.0° |
| C6 | C4 | C7 | H71 | 72.3° | 180.0° |
| C6 | C4 | C7 | H72 | 53.0° | 60.1° |
| C6 | C4 | C7 | H73 | 178.2° | 60.0° |
| C7 | C4 | C5 | H51 | 68.4° | 60.0° |
| C7 | C4 | C5 | H52 | 56.8° | 59.9° |
| C7 | C4 | C5 | H53 | 177.9° | 180.0° |
| C7 | C4 | C6 | H61 | 177.5° | 180.0° |
| C7 | C4 | C6 | H62 | 52.2° | 60.0° |
| C7 | C4 | C6 | H63 | 73.0° | 60.0° |
| C4 | C7 | H71 | H72 | 127.3° | 119.9° |
| C4 | C7 | H71 | H73 | 116.4° | 120.0° |
| C4 | C7 | H72 | H73 | 125.3° | 120.1° |
| H51 | C5 | H52 | H53 | 109.5° | 120.0° |
| H61 | C6 | H62 | H63 | 109.5° | 120.0° |
| H71 | C7 | H72 | H73 | 109.5° | 120.0° |
| N3 | C8 | C9 | H81 | 125.3° | 120.1° |
| N3 | C8 | C9 | H82 | 125.3° | 120.0° |
| N3 | C8 | H81 | H82 | 118.1° | 119.9° |
| N3 | C8 | C9 | H91 | 176.6° | 177.0° |
| N3 | C8 | C9 | H92 | 73.9° | 57.1° |
| C8 | N3 | C10 | C11 | 99.1° | 59.1° |
| C8 | N3 | C10 | H101 | 135.7° | 179.1° |
| C8 | N3 | C10 | H102 | 26.2° | 60.9° |
| C10 | N3 | C8 | C9 | 178.8° | 175.1° |
| C10 | N3 | C8 | H81 | 53.6° | 55.1° |
| C10 | N3 | C8 | H82 | 55.9° | 64.9° |
| N3 | C10 | C11 | H101 | 125.3° | 120.0° |
| N3 | C10 | C11 | H102 | 125.3° | 120.0° |
| N3 | C10 | H101 | H102 | 117.7° | 120.0° |
| N3 | C10 | C11 | O2 | 162.9° | 69.7° |
| N3 | C10 | C11 | C12 | 86.8° | 170.3° |
| N3 | C10 | C11 | H11 | 31.7° | 50.2° |
| C9 | C8 | H81 | H82 | 118.2° | 120.0° |
| C8 | C9 | H91 | H92 | 116.0° | 120.0° |
| H81 | C8 | C9 | H91 | 58.1° | 62.9° |
| H81 | C8 | C9 | H92 | 51.3° | 177.2° |
| H82 | C8 | C9 | H91 | 51.3° | 57.0° |
| H82 | C8 | C9 | H92 | 160.8° | 62.9° |
| C11 | C10 | H101 | H102 | 117.7° | 120.0° |
| C10 | C11 | O2 | C12 | 123.9° | 120.0° |
| C10 | C11 | O2 | H11 | 119.8° | 119.9° |
| C10 | C11 | C12 | H11 | 123.5° | 120.0° |
| C10 | C11 | O2 | HO2 | 180.0° | 65.1° |
| C10 | C11 | C12 | C13 | 179.3° | 175.3° |
| C10 | C11 | C12 | H121 | 54.1° | 55.3° |
| C10 | C11 | C12 | H122 | 55.4° | 64.7° |
| H101 | C10 | C11 | O2 | 71.8° | 170.3° |
| H101 | C10 | C11 | C12 | 38.5° | 50.3° |
| H101 | C10 | C11 | H11 | 156.9° | 69.8° |
| H102 | C10 | C11 | O2 | 37.6° | 50.3° |
| H102 | C10 | C11 | C12 | 148.0° | 69.7° |
| H102 | C10 | C11 | H11 | 93.6° | 170.2° |
| O2 | C11 | C12 | H11 | 132.5° | 120.1° |
| O2 | C11 | C12 | C13 | 76.6° | 64.8° |
| O2 | C11 | C12 | H121 | 158.1° | 175.2° |
| O2 | C11 | C12 | H122 | 48.7° | 55.2° |
| C12 | C11 | O2 | HO2 | 56.1° | 54.9° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 113.7° | 120.1° |
| C11 | C12 | C13 | C14 | 179.4° | 172.4° |
| C11 | C12 | C13 | C21 | 61.1° | 67.5° |
| C11 | C12 | C13 | H13 | 58.4° | 52.5° |
| H11 | C11 | O2 | HO2 | 60.1° | 175.0° |
| H11 | C11 | C12 | C13 | 55.8° | 55.3° |
| H11 | C11 | C12 | H121 | 69.4° | 64.7° |
| H11 | C11 | C12 | H122 | 178.9° | 175.3° |
| C13 | C12 | H121 | H122 | 113.6° | 120.0° |
| C12 | C13 | C14 | C21 | 122.4° | 120.1° |
| C12 | C13 | C14 | H13 | 118.0° | 120.0° |
| C12 | C13 | C21 | H13 | 118.0° | 120.0° |
| C12 | C13 | C14 | C15 | 179.9° | 173.0° |
| C12 | C13 | C14 | C37 | 50.5° | 53.0° |
| C12 | C13 | C14 | H141 | 57.5° | 66.9° |
| C12 | C13 | C21 | O3 | 32.5° | 0.1° |
| C12 | C13 | C21 | N4 | 148.8° | 180.0° |
| H121 | C12 | C13 | C14 | 55.4° | 67.6° |
| H121 | C12 | C13 | C21 | 64.2° | 52.5° |
| H121 | C12 | C13 | H13 | 176.3° | 172.5° |
| H122 | C12 | C13 | C14 | 54.1° | 52.4° |
| H122 | C12 | C13 | C21 | 173.7° | 172.5° |
| H122 | C12 | C13 | H13 | 66.9° | 67.6° |
| C14 | C13 | C21 | H13 | 121.0° | 120.0° |
| C13 | C14 | C15 | C37 | 138.2° | 120.0° |
| C13 | C14 | C15 | H141 | 108.9° | 120.0° |
| C13 | C14 | C37 | H141 | 105.2° | 120.0° |
| C13 | C14 | C15 | C16 | 57.9° | 120.0° |
| C13 | C14 | C15 | C20 | 121.7° | 59.7° |
| C14 | C13 | C21 | O3 | 88.5° | 120.0° |
| C14 | C13 | C21 | N4 | 90.2° | 59.9° |
| C13 | C14 | C37 | H371 | 54.7° | 63.4° |
| C13 | C14 | C37 | H372 | 180.0° | 56.7° |
| C13 | C14 | C37 | H373 | 54.7° | 176.6° |
| C21 | C13 | C14 | C15 | 57.5° | 66.9° |
| C21 | C13 | C14 | C37 | 172.9° | 173.1° |
| C21 | C13 | C14 | H141 | 64.9° | 53.2° |
| C13 | C21 | O3 | N4 | 178.5° | 179.9° |
| C13 | C21 | N4 | C22 | 178.2° | 179.9° |
| C13 | C21 | N4 | HN4 | 1.8° | 0.0° |
| H13 | C13 | C14 | C15 | 62.1° | 53.1° |
| H13 | C13 | C14 | C37 | 67.6° | 66.9° |
| H13 | C13 | C14 | H141 | 175.5° | 173.1° |
| H13 | C13 | C21 | O3 | 150.5° | 120.0° |
| H13 | C13 | C21 | N4 | 30.8° | 60.0° |
| C15 | C14 | C37 | H141 | 123.4° | 120.0° |
| C14 | C15 | C16 | C20 | 179.6° | 179.7° |
| C14 | C15 | C16 | C17 | 179.4° | 180.0° |
| C14 | C15 | C16 | H16 | 0.6° | 0.0° |
| C14 | C15 | C20 | C19 | 179.5° | 179.8° |
| C14 | C15 | C20 | H20 | 0.6° | 0.2° |
| C15 | C14 | C37 | H371 | 173.9° | 56.6° |
| C15 | C14 | C37 | H372 | 48.6° | 176.7° |
| C15 | C14 | C37 | H373 | 76.6° | 63.4° |
| C37 | C14 | C15 | C16 | 80.3° | 120.0° |
| C37 | C14 | C15 | C20 | 100.1° | 60.3° |
| C14 | C37 | H371 | H372 | 135.0° | 120.0° |
| C14 | C37 | H371 | H373 | 112.5° | 120.0° |
| C14 | C37 | H372 | H373 | 125.2° | 119.9° |
| H141 | C14 | C15 | C16 | 166.8° | 0.0° |
| H141 | C14 | C15 | C20 | 12.8° | 179.7° |
| H141 | C14 | C37 | H371 | 50.4° | 176.6° |
| H141 | C14 | C37 | H372 | 74.8° | 63.3° |
| H141 | C14 | C37 | H373 | 159.9° | 56.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.5° |
| C16 | C15 | C20 | H20 | 179.8° | 180.0° |
| C20 | C15 | C16 | C17 | 0.2° | 0.3° |
| C20 | C15 | C16 | H16 | 179.8° | 179.7° |
| C15 | C20 | C19 | C18 | 0.0° | 0.4° |
| C15 | C20 | C19 | H20 | 180.0° | 179.6° |
| C15 | C20 | C19 | H19 | 180.0° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| H16 | C16 | C17 | C18 | 179.8° | 180.0° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.2° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| H17 | C17 | C18 | C19 | 180.0° | 179.9° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| H18 | C18 | C19 | C20 | 179.9° | 179.8° |
| H18 | C18 | C19 | H19 | 0.1° | 0.1° |
| H19 | C19 | C20 | H20 | 0.0° | 0.2° |
| O3 | C21 | N4 | C22 | 0.5° | 0.0° |
| O3 | C21 | N4 | HN4 | 179.5° | 179.9° |
| C21 | N4 | C22 | HN4 | 180.0° | 179.9° |
| C21 | N4 | C22 | C23 | 165.6° | 151.4° |
| C21 | N4 | C22 | C30 | 75.7° | 92.8° |
| C21 | N4 | C22 | H22 | 42.1° | 29.2° |
| N4 | C22 | C23 | C30 | 128.3° | 118.9° |
| N4 | C22 | C23 | H22 | 112.8° | 122.2° |
| N4 | C22 | C30 | H22 | 112.3° | 122.1° |
| N4 | C22 | C23 | O4 | 38.1° | 26.8° |
| N4 | C22 | C23 | C24 | 162.4° | 145.2° |
| N4 | C22 | C23 | H23 | 77.8° | 96.5° |
| N4 | C22 | C30 | C25 | 144.7° | 136.0° |
| N4 | C22 | C30 | C29 | 35.4° | 43.8° |
| HN4 | N4 | C22 | C23 | 14.4° | 28.5° |
| HN4 | N4 | C22 | C30 | 104.3° | 87.3° |
| HN4 | N4 | C22 | H22 | 137.9° | 150.6° |
| C23 | C22 | C30 | H22 | 124.1° | 119.0° |
| C22 | C23 | O4 | C24 | 118.8° | 113.1° |
| C22 | C23 | O4 | H23 | 121.7° | 123.4° |
| C22 | C23 | C24 | H23 | 122.0° | 118.3° |
| C22 | C23 | O4 | HO4 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 36.7° | 26.3° |
| C22 | C23 | C24 | H241 | 88.6° | 145.3° |
| C22 | C23 | C24 | H242 | 162.0° | 92.6° |
| C23 | C22 | C30 | C25 | 21.1° | 17.1° |
| C23 | C22 | C30 | C29 | 159.1° | 162.7° |
| C30 | C22 | C23 | O4 | 90.3° | 92.1° |
| C30 | C22 | C23 | C24 | 34.0° | 26.3° |
| C30 | C22 | C23 | H23 | 153.9° | 144.6° |
| C22 | C30 | C25 | C24 | 0.1° | 0.1° |
| C22 | C30 | C25 | C26 | 180.0° | 180.0° |
| C22 | C30 | C25 | C29 | 179.9° | 179.8° |
| C22 | C30 | C29 | C28 | 179.9° | 180.0° |
| C22 | C30 | C29 | H29 | 0.1° | 0.2° |
| H22 | C22 | C23 | O4 | 150.8° | 148.9° |
| H22 | C22 | C23 | C24 | 84.9° | 92.6° |
| H22 | C22 | C23 | H23 | 35.0° | 25.6° |
| H22 | C22 | C30 | C25 | 103.0° | 101.9° |
| H22 | C22 | C30 | C29 | 76.8° | 78.3° |
| O4 | C23 | C24 | H23 | 115.8° | 123.4° |
| O4 | C23 | C24 | C25 | 85.6° | 92.0° |
| O4 | C23 | C24 | H241 | 149.1° | 26.9° |
| O4 | C23 | C24 | H242 | 39.7° | 149.1° |
| C24 | C23 | O4 | HO4 | 61.2° | 66.9° |
| C23 | C24 | C25 | H241 | 125.3° | 119.0° |
| C23 | C24 | C25 | H242 | 125.2° | 118.9° |
| C23 | C24 | H241 | H242 | 118.3° | 122.1° |
| C23 | C24 | C25 | C26 | 158.1° | 162.9° |
| C23 | C24 | C25 | C30 | 21.9° | 17.2° |
| H23 | C23 | O4 | HO4 | 58.3° | 56.6° |
| H23 | C23 | C24 | C25 | 158.6° | 144.6° |
| H23 | C23 | C24 | H241 | 33.4° | 96.5° |
| H23 | C23 | C24 | H242 | 76.1° | 25.6° |
| C25 | C24 | H241 | H242 | 118.4° | 122.1° |
| C24 | C25 | C26 | C30 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 0.0° | 0.1° |
| C24 | C25 | C30 | C29 | 180.0° | 179.9° |
| H241 | C24 | C25 | C26 | 76.7° | 43.9° |
| H241 | C24 | C25 | C30 | 103.4° | 136.2° |
| H242 | C24 | C25 | C26 | 32.8° | 78.2° |
| H242 | C24 | C25 | C30 | 147.1° | 101.7° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.1° |
| C30 | C25 | C26 | C27 | 0.1° | 0.1° |
| C30 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C30 | C29 | C28 | 0.1° | 0.1° |
| C25 | C30 | C29 | H29 | 179.9° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| H26 | C26 | C27 | C28 | 179.9° | 180.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.1° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| H27 | C27 | C28 | C29 | 180.0° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| H28 | C28 | C29 | C30 | 180.0° | 180.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.1° |
| C32 | C31 | H311 | H312 | 114.7° | 119.9° |
| C31 | C32 | C33 | C36 | 179.8° | 179.7° |
| C31 | C32 | C33 | N5 | 179.8° | 179.7° |
| C31 | C32 | C33 | H33 | 0.2° | 0.2° |
| C31 | C32 | C36 | C35 | 179.9° | 180.0° |
| C31 | C32 | C36 | H36 | 0.1° | 0.0° |
| H311 | C31 | C32 | C33 | 170.9° | 149.7° |
| H311 | C31 | C32 | C36 | 9.3° | 30.0° |
| H312 | C31 | C32 | C33 | 61.4° | 29.8° |
| H312 | C31 | C32 | C36 | 118.9° | 150.0° |
| C32 | C33 | N5 | H33 | 180.0° | 179.5° |
| C32 | C33 | N5 | C34 | 0.0° | 0.6° |
| C33 | C32 | C36 | C35 | 0.1° | 0.3° |
| C33 | C32 | C36 | H36 | 179.9° | 179.8° |
| C36 | C32 | C33 | N5 | 0.0° | 0.6° |
| C36 | C32 | C33 | H33 | 180.0° | 179.9° |
| C32 | C36 | C35 | C34 | 0.1° | 0.0° |
| C32 | C36 | C35 | H36 | 180.0° | 180.0° |
| C32 | C36 | C35 | H35 | 179.9° | 179.9° |
| C33 | N5 | C34 | C35 | 0.0° | 0.3° |
| C33 | N5 | C34 | H34 | 180.0° | 179.7° |
| H33 | C33 | N5 | C34 | 180.0° | 179.9° |
| N5 | C34 | C35 | H34 | 180.0° | 180.0° |
| N5 | C34 | C35 | C36 | 0.1° | 0.0° |
| N5 | C34 | C35 | H35 | 179.9° | 179.9° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 179.9° | 180.0° |
| H34 | C34 | C35 | C36 | 179.9° | 180.0° |
| H34 | C34 | C35 | H35 | 0.1° | 0.0° |
| H35 | C35 | C36 | H36 | 0.1° | 0.0° |
| H371 | C37 | H372 | H373 | 109.5° | 120.0° |
