XN2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.58Å | |
| N1 | C9 | sing | 1.47Å | 1.48Å | |
| N1 | C31 | sing | 1.47Å | 1.45Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.48Å | |
| C2 | N3 | sing | 1.47Å | 1.57Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | O1 | doub | 1.21Å | 1.29Å | |
| C3 | N2 | sing | 1.35Å | 1.39Å | |
| N2 | C4 | sing | 1.46Å | 1.49Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | C6 | sing | 1.53Å | 1.41Å | |
| C4 | C7 | sing | 1.53Å | 1.50Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C6 | H63 | sing | 1.09Å | 1.12Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| N3 | C8 | sing | 1.47Å | 1.51Å | |
| N3 | C10 | sing | 1.47Å | 1.51Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.47Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O2 | sing | 1.43Å | 1.41Å | |
| C11 | C12 | sing | 1.53Å | 1.48Å | |
| C11 | H11 | sing | 1.09Å | 1.11Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.64Å | |
| C13 | C21 | sing | 1.51Å | 1.61Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.51Å | 1.58Å | |
| C14 | C39 | sing | 1.53Å | 1.30Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | doub | 1.38Å | 1.55Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.50Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.47Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.52Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.51Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.47Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | O3 | doub | 1.21Å | 1.30Å | |
| C21 | N4 | sing | 1.35Å | 1.31Å | |
| N4 | C22 | sing | 1.47Å | 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 | 1.43Å | |
| C23 | C24 | sing | 1.54Å | 1.51Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.62Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.48Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.51Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.45Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | sing | 1.51Å | 1.52Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | doub | 1.38Å | 1.49Å | Aromatic |
| C32 | C36 | sing | 1.38Å | 1.51Å | Aromatic |
| C33 | C37 | sing | 1.38Å | 1.49Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.39Å | 1.46Å | Aromatic |
| C34 | O5 | sing | 1.37Å | 1.39Å | |
| C34 | C37 | doub | 1.39Å | 1.51Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.50Å | Aromatic |
| C35 | O6 | sing | 1.36Å | 1.39Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| O5 | C38 | sing | 1.44Å | 1.48Å | |
| C38 | O6 | sing | 1.44Å | 1.51Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C37 | H37 | sing | 1.08Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C39 | H393 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C9 | 106.6° | 106.9° |
| C1 | N1 | C31 | 111.4° | 106.7° |
| N1 | C1 | C2 | 113.7° | 109.7° |
| N1 | C1 | H11A | 110.7° | 109.5° |
| N1 | C1 | H12 | 110.6° | 109.5° |
| C9 | N1 | C31 | 107.0° | 106.8° |
| N1 | C9 | C8 | 113.6° | 109.7° |
| N1 | C9 | H91 | 110.7° | 109.4° |
| N1 | C9 | H92 | 110.7° | 109.4° |
| N1 | C31 | C32 | 115.4° | 109.4° |
| N1 | C31 | H311 | 110.1° | 109.5° |
| N1 | C31 | H312 | 110.1° | 109.4° |
| C2 | C1 | H11A | 110.6° | 109.4° |
| C2 | C1 | H12 | 110.7° | 109.4° |
| C1 | C2 | C3 | 106.1° | 109.5° |
| C1 | C2 | N3 | 102.7° | 109.6° |
| C1 | C2 | H2 | 118.7° | 109.4° |
| H11A | C1 | H12 | 99.6° | 109.3° |
| C3 | C2 | N3 | 117.0° | 109.4° |
| C3 | C2 | H2 | 104.9° | 109.4° |
| C2 | C3 | O1 | 118.1° | 120.0° |
| C2 | C3 | N2 | 117.8° | 120.0° |
| N3 | C2 | H2 | 108.1° | 109.4° |
| C2 | N3 | C8 | 120.3° | 106.9° |
| C2 | N3 | C10 | 110.6° | 106.7° |
| O1 | C3 | N2 | 124.1° | 120.0° |
| C3 | N2 | C4 | 130.7° | 120.0° |
| C3 | N2 | HN2 | 109.9° | 120.0° |
| C4 | N2 | HN2 | 119.4° | 120.0° |
| N2 | C4 | C5 | 109.7° | 109.5° |
| N2 | C4 | C6 | 112.7° | 109.4° |
| N2 | C4 | C7 | 114.6° | 109.5° |
| C5 | C4 | C6 | 103.7° | 109.5° |
| C5 | C4 | C7 | 107.6° | 109.5° |
| C4 | C5 | H51 | 112.1° | 109.4° |
| C4 | C5 | H52 | 109.7° | 109.4° |
| C4 | C5 | H53 | 112.1° | 109.5° |
| C6 | C4 | C7 | 107.8° | 109.5° |
| C4 | C6 | H61 | 111.0° | 109.5° |
| C4 | C6 | H62 | 112.7° | 109.5° |
| C4 | C6 | H63 | 111.0° | 109.5° |
| C4 | C7 | H71 | 110.3° | 109.5° |
| C4 | C7 | H72 | 114.6° | 109.5° |
| C4 | C7 | H73 | 110.4° | 109.5° |
| H51 | C5 | H52 | 112.1° | 109.5° |
| H51 | C5 | H53 | 98.3° | 109.5° |
| H52 | C5 | H53 | 112.1° | 109.5° |
| H61 | C6 | H62 | 111.0° | 109.5° |
| H61 | C6 | H63 | 99.3° | 109.4° |
| H62 | C6 | H63 | 111.0° | 109.5° |
| H71 | C7 | H72 | 110.3° | 109.5° |
| H71 | C7 | H73 | 99.9° | 109.4° |
| H72 | C7 | H73 | 110.3° | 109.4° |
| C8 | N3 | C10 | 106.5° | 106.7° |
| N3 | C8 | C9 | 105.9° | 109.6° |
| N3 | C8 | H81 | 113.5° | 109.4° |
| N3 | C8 | H82 | 113.6° | 109.4° |
| N3 | C10 | C11 | 110.1° | 109.4° |
| N3 | C10 | H101 | 112.0° | 109.5° |
| N3 | C10 | H102 | 112.0° | 109.5° |
| C9 | C8 | H81 | 113.6° | 109.4° |
| C9 | C8 | H82 | 113.5° | 109.5° |
| C8 | C9 | H91 | 110.7° | 109.4° |
| C8 | C9 | H92 | 110.7° | 109.5° |
| H81 | C8 | H82 | 96.9° | 109.5° |
| H91 | C9 | H92 | 99.6° | 109.4° |
| C11 | C10 | H101 | 112.0° | 109.5° |
| C11 | C10 | H102 | 112.0° | 109.5° |
| C10 | C11 | O2 | 93.5° | 109.5° |
| C10 | C11 | C12 | 119.4° | 109.4° |
| C10 | C11 | H11 | 111.8° | 109.5° |
| H101 | C10 | H102 | 98.4° | 109.4° |
| O2 | C11 | C12 | 102.7° | 109.5° |
| O2 | C11 | H11 | 126.6° | 109.5° |
| C11 | O2 | HO2 | 93.4° | 106.8° |
| C12 | C11 | H11 | 103.8° | 109.5° |
| C11 | C12 | C13 | 120.2° | 109.5° |
| C11 | C12 | H121 | 108.4° | 109.5° |
| C11 | C12 | H122 | 108.3° | 109.5° |
| C13 | C12 | H121 | 108.4° | 109.5° |
| C13 | C12 | H122 | 108.4° | 109.4° |
| C12 | C13 | C14 | 108.0° | 109.5° |
| C12 | C13 | C21 | 112.4° | 109.5° |
| C12 | C13 | H13 | 107.9° | 109.5° |
| H121 | C12 | H122 | 101.6° | 109.5° |
| C14 | C13 | C21 | 107.4° | 109.5° |
| C14 | C13 | H13 | 112.8° | 109.5° |
| C13 | C14 | C15 | 108.7° | 109.5° |
| C13 | C14 | C39 | 131.5° | 109.5° |
| C13 | C14 | H141 | 91.3° | 109.5° |
| C21 | C13 | H13 | 108.5° | 109.4° |
| C13 | C21 | O3 | 126.2° | 120.0° |
| C13 | C21 | N4 | 109.7° | 120.0° |
| C15 | C14 | C39 | 104.0° | 109.5° |
| C15 | C14 | H141 | 126.2° | 109.4° |
| C14 | C15 | C16 | 122.5° | 120.1° |
| C14 | C15 | C20 | 117.6° | 120.0° |
| C39 | C14 | H141 | 97.4° | 109.4° |
| C14 | C39 | H391 | 104.6° | 109.4° |
| C14 | C39 | H392 | 131.5° | 109.5° |
| C14 | C39 | H393 | 104.6° | 109.5° |
| C16 | C15 | C20 | 119.9° | 119.9° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C15 | C16 | H16 | 122.5° | 119.9° |
| C15 | C20 | C19 | 120.4° | 120.0° |
| C15 | C20 | H20 | 120.8° | 120.0° |
| C17 | C16 | H16 | 117.7° | 120.1° |
| C16 | C17 | C18 | 119.0° | 120.1° |
| C16 | C17 | H17 | 118.9° | 120.0° |
| C18 | C17 | H17 | 122.1° | 120.0° |
| C17 | C18 | C19 | 120.7° | 119.9° |
| C17 | C18 | H18 | 120.2° | 120.1° |
| C19 | C18 | H18 | 119.1° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C18 | C19 | H19 | 121.3° | 120.0° |
| C20 | C19 | H19 | 118.5° | 119.9° |
| C19 | C20 | H20 | 118.8° | 120.0° |
| O3 | C21 | N4 | 124.1° | 120.1° |
| C21 | N4 | C22 | 124.3° | 120.0° |
| C21 | N4 | HN4 | 112.4° | 120.0° |
| C22 | N4 | HN4 | 123.3° | 120.0° |
| N4 | C22 | C23 | 111.3° | 110.3° |
| N4 | C22 | C30 | 119.6° | 110.3° |
| N4 | C22 | H22 | 98.9° | 110.3° |
| C23 | C22 | C30 | 102.7° | 105.3° |
| C23 | C22 | H22 | 116.9° | 110.3° |
| C22 | C23 | O4 | 112.0° | 110.8° |
| C22 | C23 | C24 | 104.6° | 102.4° |
| C22 | C23 | H23 | 113.4° | 110.8° |
| C30 | C22 | H22 | 108.1° | 110.3° |
| C22 | C30 | C25 | 108.3° | 109.7° |
| C22 | C30 | C29 | 133.7° | 130.5° |
| O4 | C23 | C24 | 115.7° | 111.0° |
| O4 | C23 | H23 | 101.8° | 110.7° |
| C23 | O4 | HO4 | 112.1° | 106.8° |
| C24 | C23 | H23 | 109.6° | 110.9° |
| C23 | C24 | C25 | 109.0° | 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 | 138.2° | 130.4° |
| C24 | C25 | C30 | 101.2° | 109.8° |
| H241 | C24 | H242 | 98.1° | 110.3° |
| C26 | C25 | C30 | 120.6° | 119.8° |
| C25 | C26 | C27 | 118.0° | 120.2° |
| C25 | C26 | H26 | 119.2° | 119.9° |
| C25 | C30 | C29 | 118.0° | 119.8° |
| C27 | C26 | H26 | 122.9° | 119.9° |
| C26 | C27 | C28 | 122.0° | 119.9° |
| C26 | C27 | H27 | 118.1° | 120.0° |
| C28 | C27 | H27 | 119.8° | 120.1° |
| C27 | C28 | C29 | 120.1° | 119.9° |
| C27 | C28 | H28 | 121.9° | 120.0° |
| C29 | C28 | H28 | 118.0° | 120.0° |
| C28 | C29 | C30 | 121.3° | 120.3° |
| C28 | C29 | H29 | 120.0° | 119.9° |
| C30 | C29 | H29 | 118.7° | 119.8° |
| C32 | C31 | H311 | 110.0° | 109.5° |
| C32 | C31 | H312 | 110.1° | 109.5° |
| C31 | C32 | C33 | 118.5° | 119.9° |
| C31 | C32 | C36 | 122.3° | 119.9° |
| H311 | C31 | H312 | 100.2° | 109.6° |
| C33 | C32 | C36 | 119.2° | 120.2° |
| C32 | C33 | C37 | 124.3° | 120.1° |
| C32 | C33 | H33 | 117.9° | 120.0° |
| C32 | C36 | C35 | 119.2° | 120.0° |
| C32 | C36 | H36 | 120.7° | 120.0° |
| C37 | C33 | H33 | 117.8° | 119.9° |
| C33 | C37 | C34 | 113.0° | 120.0° |
| C33 | C37 | H37 | 122.9° | 120.0° |
| C35 | C34 | O5 | 107.6° | 108.6° |
| C35 | C34 | C37 | 126.2° | 119.9° |
| C34 | C35 | C36 | 118.2° | 119.8° |
| C34 | C35 | O6 | 104.0° | 108.7° |
| O5 | C34 | C37 | 126.2° | 131.5° |
| C34 | O5 | C38 | 115.5° | 105.5° |
| C34 | C37 | H37 | 124.1° | 120.0° |
| C36 | C35 | O6 | 137.8° | 131.5° |
| C35 | C36 | H36 | 120.2° | 120.0° |
| C35 | O6 | C38 | 116.9° | 105.5° |
| O5 | C38 | O6 | 96.0° | 103.7° |
| O5 | C38 | H381 | 117.5° | 110.6° |
| O5 | C38 | H382 | 117.5° | 110.6° |
| O6 | C38 | H381 | 117.5° | 110.6° |
| O6 | C38 | H382 | 117.5° | 110.6° |
| H381 | C38 | H382 | 92.8° | 110.6° |
| H391 | C39 | H392 | 104.6° | 109.5° |
| H391 | C39 | H393 | 104.4° | 109.4° |
| H392 | C39 | H393 | 104.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C9 | C31 | 119.4° | 113.9° |
| N1 | C1 | C2 | H11A | 125.3° | 120.1° |
| N1 | C1 | C2 | H12 | 125.2° | 120.1° |
| N1 | C1 | H11A | H12 | 116.5° | 119.9° |
| N1 | C1 | C2 | C3 | 179.2° | 177.0° |
| N1 | C1 | C2 | N3 | 55.8° | 62.9° |
| N1 | C1 | C2 | H2 | 63.3° | 57.1° |
| C1 | N1 | C9 | C8 | 61.8° | 61.2° |
| C1 | N1 | C9 | H91 | 172.9° | 178.8° |
| C1 | N1 | C9 | H92 | 63.5° | 58.9° |
| C1 | N1 | C31 | C32 | 65.8° | 47.8° |
| C1 | N1 | C31 | H311 | 59.4° | 72.2° |
| C1 | N1 | C31 | H312 | 168.9° | 167.8° |
| C9 | N1 | C1 | C2 | 64.1° | 61.2° |
| C9 | N1 | C1 | H11A | 61.2° | 178.7° |
| C9 | N1 | C1 | H12 | 170.6° | 58.9° |
| N1 | C9 | C8 | N3 | 55.8° | 62.9° |
| N1 | C9 | C8 | H91 | 125.3° | 120.1° |
| N1 | C9 | C8 | H92 | 125.3° | 120.0° |
| N1 | C9 | C8 | H81 | 178.9° | 57.1° |
| N1 | C9 | C8 | H82 | 69.4° | 177.0° |
| N1 | C9 | H91 | H92 | 116.6° | 119.9° |
| C9 | N1 | C31 | C32 | 178.0° | 66.2° |
| C9 | N1 | C31 | H311 | 56.8° | 173.8° |
| C9 | N1 | C31 | H312 | 52.7° | 53.7° |
| C31 | N1 | C1 | C2 | 179.4° | 175.1° |
| C31 | N1 | C1 | H11A | 55.3° | 64.8° |
| C31 | N1 | C1 | H12 | 54.2° | 55.1° |
| C31 | N1 | C9 | C8 | 178.8° | 175.1° |
| C31 | N1 | C9 | H91 | 53.6° | 64.9° |
| C31 | N1 | C9 | H92 | 55.9° | 55.0° |
| N1 | C31 | C32 | H311 | 125.3° | 120.0° |
| N1 | C31 | C32 | H312 | 125.3° | 119.9° |
| N1 | C31 | H311 | H312 | 115.9° | 120.0° |
| N1 | C31 | C32 | C33 | 72.2° | 90.1° |
| N1 | C31 | C32 | C36 | 107.7° | 90.3° |
| C2 | C1 | H11A | H12 | 116.5° | 119.8° |
| C1 | C2 | C3 | N3 | 113.9° | 120.2° |
| C1 | C2 | C3 | H2 | 126.4° | 119.9° |
| C1 | C2 | N3 | H2 | 126.3° | 120.0° |
| C1 | C2 | C3 | O1 | 71.6° | 120.0° |
| C1 | C2 | C3 | N2 | 109.2° | 59.9° |
| C1 | C2 | N3 | C8 | 53.7° | 61.2° |
| C1 | C2 | N3 | C10 | 178.6° | 175.0° |
| H11A | C1 | C2 | C3 | 53.9° | 56.9° |
| H11A | C1 | C2 | N3 | 69.4° | 177.0° |
| H11A | C1 | C2 | H2 | 171.4° | 63.0° |
| H12 | C1 | C2 | C3 | 55.6° | 62.9° |
| H12 | C1 | C2 | N3 | 178.9° | 57.2° |
| H12 | C1 | C2 | H2 | 61.9° | 177.2° |
| C3 | C2 | N3 | H2 | 118.0° | 119.9° |
| C2 | C3 | O1 | N2 | 179.1° | 179.9° |
| C2 | C3 | N2 | C4 | 179.1° | 180.0° |
| C2 | C3 | N2 | HN2 | 1.0° | 0.1° |
| C3 | C2 | N3 | C8 | 169.4° | 178.7° |
| C3 | C2 | N3 | C10 | 65.7° | 64.9° |
| N3 | C2 | C3 | O1 | 42.2° | 0.2° |
| N3 | C2 | C3 | N2 | 137.0° | 179.9° |
| C2 | N3 | C8 | C10 | 126.8° | 113.8° |
| C2 | N3 | C8 | C9 | 53.1° | 61.2° |
| C2 | N3 | C8 | H81 | 178.4° | 58.8° |
| C2 | N3 | C8 | H82 | 72.2° | 178.7° |
| C2 | N3 | C10 | C11 | 133.8° | 173.1° |
| C2 | N3 | C10 | H101 | 8.5° | 66.9° |
| C2 | N3 | C10 | H102 | 100.9° | 53.0° |
| H2 | C2 | C3 | O1 | 162.0° | 120.1° |
| H2 | C2 | C3 | N2 | 17.2° | 59.9° |
| H2 | C2 | N3 | C8 | 72.6° | 58.8° |
| H2 | C2 | N3 | C10 | 52.3° | 55.1° |
| O1 | C3 | N2 | C4 | 0.1° | 0.1° |
| O1 | C3 | N2 | HN2 | 179.9° | 180.0° |
| C3 | N2 | C4 | HN2 | 180.0° | 179.9° |
| C3 | N2 | C4 | C5 | 179.6° | 180.0° |
| C3 | N2 | C4 | C6 | 65.3° | 60.1° |
| C3 | N2 | C4 | C7 | 58.5° | 59.9° |
| N2 | C4 | C5 | C6 | 120.7° | 120.0° |
| N2 | C4 | C5 | C7 | 125.2° | 120.0° |
| N2 | C4 | C6 | C7 | 127.5° | 120.0° |
| N2 | C4 | C5 | H51 | 54.7° | 180.0° |
| N2 | C4 | C5 | H52 | 180.0° | 60.0° |
| N2 | C4 | C5 | H53 | 54.7° | 60.0° |
| N2 | C4 | C6 | H61 | 54.7° | 60.0° |
| N2 | C4 | C6 | H62 | 180.0° | 60.1° |
| N2 | C4 | C6 | H63 | 54.7° | 180.0° |
| N2 | C4 | C7 | H71 | 54.8° | 60.0° |
| N2 | C4 | C7 | H72 | 180.0° | 180.0° |
| N2 | C4 | C7 | H73 | 54.7° | 60.0° |
| HN2 | N2 | C4 | C5 | 0.3° | 0.1° |
| HN2 | N2 | C4 | C6 | 114.7° | 120.0° |
| HN2 | N2 | C4 | C7 | 121.5° | 120.0° |
| C5 | C4 | C6 | C7 | 113.9° | 120.0° |
| C4 | C5 | H51 | H52 | 124.0° | 120.0° |
| C4 | C5 | H51 | H53 | 118.0° | 120.0° |
| C4 | C5 | H52 | H53 | 125.3° | 120.0° |
| C5 | C4 | C6 | H61 | 63.9° | 60.0° |
| C5 | C4 | C6 | H62 | 61.4° | 180.0° |
| C5 | C4 | C6 | H63 | 173.3° | 60.0° |
| C5 | C4 | C7 | H71 | 177.1° | 60.0° |
| C5 | C4 | C7 | H72 | 57.7° | 60.0° |
| C5 | C4 | C7 | H73 | 67.5° | 180.0° |
| C6 | C4 | C5 | H51 | 175.4° | 60.0° |
| C6 | C4 | C5 | H52 | 59.3° | 180.0° |
| C6 | C4 | C5 | H53 | 65.9° | 60.0° |
| C4 | C6 | H61 | H62 | 126.2° | 120.1° |
| C4 | C6 | H61 | H63 | 116.9° | 120.0° |
| C4 | C6 | H62 | H63 | 125.3° | 120.0° |
| C6 | C4 | C7 | H71 | 71.6° | 180.0° |
| C6 | C4 | C7 | H72 | 53.6° | 60.0° |
| C6 | C4 | C7 | H73 | 178.9° | 60.0° |
| C7 | C4 | C5 | H51 | 70.5° | 60.0° |
| C7 | C4 | C5 | H52 | 54.8° | 60.0° |
| C7 | C4 | C5 | H53 | 180.0° | 180.0° |
| C7 | C4 | C6 | H61 | 177.8° | 180.0° |
| C7 | C4 | C6 | H62 | 52.5° | 59.9° |
| C7 | C4 | C6 | H63 | 72.7° | 60.0° |
| C4 | C7 | H71 | H72 | 127.6° | 120.0° |
| C4 | C7 | H71 | H73 | 116.2° | 120.1° |
| C4 | C7 | H72 | H73 | 125.3° | 120.0° |
| H51 | C5 | H52 | H53 | 109.5° | 120.0° |
| H61 | C6 | H62 | H63 | 109.5° | 120.0° |
| H71 | C7 | H72 | H73 | 109.5° | 119.9° |
| N3 | C8 | C9 | H81 | 125.3° | 120.0° |
| N3 | C8 | C9 | H82 | 125.3° | 120.1° |
| N3 | C8 | H81 | H82 | 119.5° | 119.9° |
| N3 | C8 | C9 | H91 | 178.9° | 177.0° |
| N3 | C8 | C9 | H92 | 69.4° | 57.1° |
| C8 | N3 | C10 | C11 | 93.8° | 59.1° |
| C8 | N3 | C10 | H101 | 141.0° | 179.1° |
| C8 | N3 | C10 | H102 | 31.5° | 60.9° |
| C10 | N3 | C8 | C9 | 179.9° | 175.0° |
| C10 | N3 | C8 | H81 | 54.8° | 55.0° |
| C10 | N3 | C8 | H82 | 54.7° | 64.9° |
| N3 | C10 | C11 | H101 | 125.3° | 120.0° |
| N3 | C10 | C11 | H102 | 125.3° | 120.0° |
| N3 | C10 | H101 | H102 | 117.9° | 120.0° |
| N3 | C10 | C11 | O2 | 159.7° | 69.8° |
| N3 | C10 | C11 | C12 | 93.6° | 170.2° |
| N3 | C10 | C11 | H11 | 27.8° | 50.2° |
| C9 | C8 | H81 | H82 | 119.5° | 120.0° |
| C8 | C9 | H91 | H92 | 116.5° | 119.9° |
| H81 | C8 | C9 | H91 | 53.6° | 63.0° |
| H81 | C8 | C9 | H92 | 55.8° | 177.1° |
| H82 | C8 | C9 | H91 | 55.9° | 57.0° |
| H82 | C8 | C9 | H92 | 165.3° | 62.9° |
| C11 | C10 | H101 | H102 | 117.9° | 120.0° |
| C10 | C11 | O2 | C12 | 121.2° | 120.0° |
| C10 | C11 | O2 | H11 | 120.5° | 120.0° |
| C10 | C11 | C12 | H11 | 125.3° | 120.0° |
| C10 | C11 | O2 | HO2 | 180.0° | 65.0° |
| C10 | C11 | C12 | C13 | 178.9° | 175.3° |
| C10 | C11 | C12 | H121 | 53.7° | 55.3° |
| C10 | C11 | C12 | H122 | 55.8° | 64.7° |
| H101 | C10 | C11 | O2 | 75.1° | 170.2° |
| H101 | C10 | C11 | C12 | 31.6° | 50.3° |
| H101 | C10 | C11 | H11 | 153.1° | 69.7° |
| H102 | C10 | C11 | O2 | 34.4° | 50.3° |
| H102 | C10 | C11 | C12 | 141.1° | 69.7° |
| H102 | C10 | C11 | H11 | 97.5° | 170.3° |
| O2 | C11 | C12 | H11 | 133.2° | 120.0° |
| O2 | C11 | C12 | C13 | 79.6° | 64.7° |
| O2 | C11 | C12 | H121 | 155.1° | 175.3° |
| O2 | C11 | C12 | H122 | 45.7° | 55.2° |
| C12 | C11 | O2 | HO2 | 58.7° | 54.9° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 114.0° | 120.0° |
| C11 | C12 | C13 | C14 | 178.9° | 172.4° |
| C11 | C12 | C13 | C21 | 62.8° | 67.5° |
| C11 | C12 | C13 | H13 | 56.8° | 52.4° |
| H11 | C11 | O2 | HO2 | 59.5° | 175.0° |
| H11 | C11 | C12 | C13 | 53.6° | 55.3° |
| H11 | C11 | C12 | H121 | 71.6° | 64.7° |
| H11 | C11 | C12 | H122 | 178.9° | 175.3° |
| C13 | C12 | H121 | H122 | 114.0° | 119.9° |
| C12 | C13 | C14 | C21 | 121.4° | 120.0° |
| C12 | C13 | C14 | H13 | 119.1° | 120.0° |
| C12 | C13 | C21 | H13 | 119.2° | 120.0° |
| C12 | C13 | C14 | C15 | 179.1° | 173.1° |
| C12 | C13 | C14 | C39 | 51.0° | 53.0° |
| C12 | C13 | C14 | H141 | 50.0° | 66.9° |
| C12 | C13 | C21 | O3 | 38.4° | 0.1° |
| C12 | C13 | C21 | N4 | 143.1° | 180.0° |
| H121 | C12 | C13 | C14 | 55.8° | 67.5° |
| H121 | C12 | C13 | C21 | 62.5° | 52.5° |
| H121 | C12 | C13 | H13 | 178.0° | 172.4° |
| H122 | C12 | C13 | C14 | 53.6° | 52.4° |
| H122 | C12 | C13 | C21 | 172.0° | 172.5° |
| H122 | C12 | C13 | H13 | 68.5° | 67.6° |
| C14 | C13 | C21 | H13 | 122.2° | 120.0° |
| C13 | C14 | C15 | C39 | 143.7° | 120.1° |
| C13 | C14 | C15 | H141 | 106.1° | 120.0° |
| C13 | C14 | C39 | H141 | 98.3° | 120.0° |
| C13 | C14 | C15 | C16 | 60.3° | 120.0° |
| C13 | C14 | C15 | C20 | 119.0° | 59.7° |
| C14 | C13 | C21 | O3 | 80.3° | 120.0° |
| C14 | C13 | C21 | N4 | 98.3° | 59.9° |
| C13 | C14 | C39 | H391 | 54.7° | 63.4° |
| C13 | C14 | C39 | H392 | 180.0° | 56.6° |
| C13 | C14 | C39 | H393 | 54.7° | 176.7° |
| C21 | C13 | C14 | C15 | 57.7° | 66.9° |
| C21 | C13 | C14 | C39 | 172.5° | 173.1° |
| C21 | C13 | C14 | H141 | 71.4° | 53.1° |
| C13 | C21 | O3 | N4 | 178.3° | 179.9° |
| C13 | C21 | N4 | C22 | 178.0° | 179.9° |
| C13 | C21 | N4 | HN4 | 2.0° | 0.0° |
| H13 | C13 | C14 | C15 | 61.8° | 53.1° |
| H13 | C13 | C14 | C39 | 68.1° | 67.0° |
| H13 | C13 | C14 | H141 | 169.1° | 173.1° |
| H13 | C13 | C21 | O3 | 157.6° | 120.0° |
| H13 | C13 | C21 | N4 | 23.9° | 60.0° |
| C15 | C14 | C39 | H141 | 130.2° | 119.9° |
| C14 | C15 | C16 | C20 | 179.3° | 179.7° |
| C14 | C15 | C16 | C17 | 179.5° | 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 | C39 | H391 | 173.9° | 56.7° |
| C15 | C14 | C39 | H392 | 48.5° | 176.7° |
| C15 | C14 | C39 | H393 | 76.7° | 63.2° |
| C39 | C14 | C15 | C16 | 83.3° | 120.0° |
| C39 | C14 | C15 | C20 | 97.3° | 60.3° |
| C14 | C39 | H391 | H392 | 140.9° | 120.0° |
| C14 | C39 | H391 | H393 | 109.6° | 119.9° |
| C14 | C39 | H392 | H393 | 125.2° | 120.0° |
| H141 | C14 | C15 | C16 | 166.4° | 0.1° |
| H141 | C14 | C15 | C20 | 12.9° | 179.8° |
| H141 | C14 | C39 | H391 | 43.6° | 176.6° |
| H141 | C14 | C39 | H392 | 81.7° | 63.4° |
| H141 | C14 | C39 | H393 | 153.1° | 56.7° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C15 | C16 | C17 | H17 | 179.9° | 179.9° |
| C16 | C15 | C20 | C19 | 0.1° | 0.5° |
| C16 | C15 | C20 | H20 | 179.9° | 179.9° |
| C20 | C15 | C16 | C17 | 0.1° | 0.3° |
| C20 | C15 | C16 | H16 | 179.9° | 179.7° |
| C15 | C20 | C19 | C18 | 0.1° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.6° |
| C15 | C20 | C19 | H19 | 179.9° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| H16 | C16 | C17 | C18 | 179.9° | 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 | 179.9° | 180.0° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| H18 | C18 | C19 | C20 | 180.0° | 179.8° |
| H18 | C18 | C19 | H19 | 0.0° | 0.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.2° |
| O3 | C21 | N4 | C22 | 0.6° | 0.0° |
| O3 | C21 | N4 | HN4 | 179.4° | 180.0° |
| C21 | N4 | C22 | HN4 | 180.0° | 180.0° |
| C21 | N4 | C22 | C23 | 155.1° | 151.4° |
| C21 | N4 | C22 | C30 | 85.3° | 92.7° |
| C21 | N4 | C22 | H22 | 31.5° | 29.3° |
| N4 | C22 | C23 | C30 | 129.2° | 119.0° |
| N4 | C22 | C23 | H22 | 112.7° | 122.1° |
| N4 | C22 | C30 | H22 | 111.9° | 122.0° |
| N4 | C22 | C23 | O4 | 38.8° | 26.8° |
| N4 | C22 | C23 | C24 | 164.8° | 145.3° |
| N4 | C22 | C23 | H23 | 75.8° | 96.5° |
| N4 | C22 | C30 | C25 | 145.9° | 136.0° |
| N4 | C22 | C30 | C29 | 34.5° | 43.7° |
| HN4 | N4 | C22 | C23 | 24.9° | 28.6° |
| HN4 | N4 | C22 | C30 | 94.7° | 87.3° |
| HN4 | N4 | C22 | H22 | 148.5° | 150.7° |
| C23 | C22 | C30 | H22 | 124.2° | 119.0° |
| C22 | C23 | O4 | C24 | 119.7° | 113.1° |
| C22 | C23 | O4 | H23 | 121.5° | 123.3° |
| C22 | C23 | C24 | H23 | 122.0° | 118.2° |
| C22 | C23 | O4 | HO4 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 38.0° | 26.4° |
| C22 | C23 | C24 | H241 | 87.2° | 145.3° |
| C22 | C23 | C24 | H242 | 163.3° | 92.6° |
| C23 | C22 | C30 | C25 | 22.1° | 17.0° |
| C23 | C22 | C30 | C29 | 158.4° | 162.6° |
| C30 | C22 | C23 | O4 | 90.4° | 92.2° |
| C30 | C22 | C23 | C24 | 35.6° | 26.3° |
| C30 | C22 | C23 | H23 | 155.0° | 144.5° |
| C22 | C30 | C25 | C24 | 0.2° | 0.2° |
| C22 | C30 | C25 | C26 | 179.8° | 180.0° |
| C22 | C30 | C25 | C29 | 179.6° | 179.7° |
| C22 | C30 | C29 | C28 | 179.7° | 179.9° |
| C22 | C30 | C29 | H29 | 0.3° | 0.3° |
| H22 | C22 | C23 | O4 | 151.4° | 148.9° |
| H22 | C22 | C23 | C24 | 82.6° | 92.7° |
| H22 | C22 | C23 | H23 | 36.9° | 25.6° |
| H22 | C22 | C30 | C25 | 102.1° | 102.0° |
| H22 | C22 | C30 | C29 | 77.4° | 78.4° |
| O4 | C23 | C24 | H23 | 114.4° | 123.5° |
| O4 | C23 | C24 | C25 | 85.7° | 91.9° |
| O4 | C23 | C24 | H241 | 149.1° | 27.0° |
| O4 | C23 | C24 | H242 | 39.6° | 149.1° |
| C24 | C23 | O4 | HO4 | 60.3° | 66.9° |
| C23 | C24 | C25 | H241 | 125.3° | 118.9° |
| C23 | C24 | C25 | H242 | 125.2° | 119.0° |
| C23 | C24 | H241 | H242 | 118.3° | 122.1° |
| C23 | C24 | C25 | C26 | 157.4° | 162.9° |
| C23 | C24 | C25 | C30 | 22.5° | 17.3° |
| H23 | C23 | O4 | HO4 | 58.5° | 56.7° |
| H23 | C23 | C24 | C25 | 160.0° | 144.6° |
| H23 | C23 | C24 | H241 | 34.7° | 96.5° |
| H23 | C23 | C24 | H242 | 74.8° | 25.6° |
| C25 | C24 | H241 | H242 | 118.3° | 122.1° |
| C24 | C25 | C26 | C30 | 179.9° | 179.8° |
| C24 | C25 | C26 | C27 | 180.0° | 179.9° |
| C24 | C25 | C26 | H26 | 0.0° | 0.1° |
| C24 | C25 | C30 | C29 | 179.9° | 179.9° |
| H241 | C24 | C25 | C26 | 77.3° | 43.9° |
| H241 | C24 | C25 | C30 | 102.7° | 136.3° |
| H242 | C24 | C25 | C26 | 32.1° | 78.2° |
| H242 | C24 | C25 | C30 | 147.8° | 101.6° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C30 | C29 | 0.2° | 0.3° |
| C30 | C25 | C26 | C27 | 0.0° | 0.1° |
| C30 | C25 | C26 | H26 | 180.0° | 179.9° |
| C25 | C30 | C29 | C28 | 0.2° | 0.3° |
| C25 | C30 | C29 | H29 | 179.8° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.1° |
| C26 | C27 | C28 | H28 | 179.9° | 179.9° |
| H26 | C26 | C27 | C28 | 179.9° | 180.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.8° |
| C27 | C28 | C29 | C30 | 0.0° | 0.2° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| H27 | C27 | C28 | C29 | 179.9° | 179.9° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| H28 | C28 | C29 | C30 | 180.0° | 179.9° |
| H28 | C28 | C29 | H29 | 0.0° | 0.2° |
| C32 | C31 | H311 | H312 | 115.9° | 120.1° |
| C31 | C32 | C33 | C36 | 179.9° | 179.7° |
| C31 | C32 | C33 | C37 | 179.8° | 179.9° |
| C31 | C32 | C33 | H33 | 0.2° | 0.1° |
| C31 | C32 | C36 | C35 | 179.8° | 179.8° |
| C31 | C32 | C36 | H36 | 0.2° | 0.0° |
| H311 | C31 | C32 | C33 | 162.5° | 29.9° |
| H311 | C31 | C32 | C36 | 17.6° | 149.8° |
| H312 | C31 | C32 | C33 | 53.0° | 150.0° |
| H312 | C31 | C32 | C36 | 127.0° | 29.7° |
| C32 | C33 | C37 | H33 | 180.0° | 179.9° |
| C32 | C33 | C37 | C34 | 0.0° | 0.0° |
| C33 | C32 | C36 | C35 | 0.1° | 0.5° |
| C33 | C32 | C36 | H36 | 179.9° | 179.6° |
| C32 | C33 | C37 | H37 | 179.9° | 180.0° |
| C36 | C32 | C33 | C37 | 0.1° | 0.3° |
| C36 | C32 | C33 | H33 | 179.9° | 179.8° |
| C32 | C36 | C35 | C34 | 0.1° | 0.5° |
| C32 | C36 | C35 | H36 | 180.0° | 179.8° |
| C32 | C36 | C35 | O6 | 179.9° | 179.8° |
| C33 | C37 | C34 | C35 | 0.0° | 0.0° |
| C33 | C37 | C34 | O5 | 179.9° | 180.0° |
| C33 | C37 | C34 | H37 | 180.0° | 180.0° |
| H33 | C33 | C37 | C34 | 180.0° | 180.0° |
| H33 | C33 | C37 | H37 | 0.1° | 0.0° |
| C35 | C34 | O5 | C37 | 180.0° | 180.0° |
| C34 | C35 | C36 | O6 | 180.0° | 179.7° |
| C34 | C35 | C36 | H36 | 180.0° | 179.6° |
| C35 | C34 | O5 | C38 | 0.0° | 17.2° |
| C34 | C35 | O6 | C38 | 0.1° | 17.3° |
| C35 | C34 | C37 | H37 | 180.0° | 180.0° |
| O5 | C34 | C35 | C36 | 179.9° | 179.8° |
| O5 | C34 | C35 | O6 | 0.0° | 0.0° |
| C34 | O5 | C38 | O6 | 0.0° | 27.1° |
| C34 | O5 | C38 | H381 | 125.3° | 91.5° |
| C34 | O5 | C38 | H382 | 125.2° | 145.7° |
| O5 | C34 | C37 | H37 | 0.1° | 0.0° |
| C37 | C34 | C35 | C36 | 0.0° | 0.3° |
| C37 | C34 | C35 | O6 | 180.0° | 180.0° |
| C37 | C34 | O5 | C38 | 179.9° | 162.7° |
| C36 | C35 | O6 | C38 | 179.9° | 163.0° |
| O6 | C35 | C36 | H36 | 0.1° | 0.0° |
| C35 | O6 | C38 | O5 | 0.1° | 27.1° |
| C35 | O6 | C38 | H381 | 125.4° | 91.5° |
| C35 | O6 | C38 | H382 | 125.2° | 145.7° |
| O5 | C38 | O6 | H381 | 125.3° | 118.5° |
| O5 | C38 | O6 | H382 | 125.3° | 118.6° |
| O5 | C38 | H381 | H382 | 123.1° | 122.9° |
| O6 | C38 | H381 | H382 | 123.1° | 122.8° |
| H391 | C39 | H392 | H393 | 109.4° | 120.0° |
