XN3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.54Å | |
| N1 | C9 | sing | 1.47Å | 1.45Å | |
| N1 | C31 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | H11A | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| 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 | 1.26Å | |
| C3 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C4 | sing | 1.46Å | 1.48Å | |
| 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 | 1.11Å | |
| 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 | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H73 | sing | 1.09Å | 1.11Å | |
| N3 | C8 | sing | 1.47Å | 1.51Å | |
| N3 | C10 | sing | 1.47Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| C11 | O2 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| 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 | 1.61Å | |
| C13 | C21 | sing | 1.51Å | 1.59Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | doub | 1.38Å | 1.49Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.46Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.45Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.49Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.48Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.44Å | 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 | 1.31Å | |
| 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 | 1.11Å | |
| 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 | 1.39Å | 1.40Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.60Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.45Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.47Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | 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 | 1.12Å | |
| C32 | C33 | doub | 1.38Å | 1.46Å | Aromatic |
| C32 | C36 | sing | 1.38Å | 1.46Å | Aromatic |
| C33 | C37 | sing | 1.38Å | 1.47Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.39Å | 1.43Å | Aromatic |
| C34 | O5 | sing | 1.36Å | 1.41Å | |
| C34 | C37 | doub | 1.39Å | 1.48Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.47Å | 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 | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C37 | H37 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C9 | 108.0° | 106.9° |
| C1 | N1 | C31 | 112.2° | 106.7° |
| N1 | C1 | C2 | 115.2° | 109.6° |
| N1 | C1 | H11A | 110.1° | 109.4° |
| N1 | C1 | H12 | 110.1° | 109.4° |
| C9 | N1 | C31 | 108.8° | 106.7° |
| N1 | C9 | C8 | 114.4° | 109.6° |
| N1 | C9 | H91 | 110.4° | 109.4° |
| N1 | C9 | H92 | 110.4° | 109.4° |
| N1 | C31 | C32 | 116.2° | 109.5° |
| N1 | C31 | H311 | 109.8° | 109.4° |
| N1 | C31 | H312 | 109.8° | 109.5° |
| C2 | C1 | H11A | 110.1° | 109.4° |
| C2 | C1 | H12 | 110.1° | 109.5° |
| C1 | C2 | C3 | 105.7° | 109.4° |
| C1 | C2 | N3 | 102.9° | 109.6° |
| C1 | C2 | H2 | 119.0° | 109.4° |
| H11A | C1 | H12 | 100.1° | 109.4° |
| C3 | C2 | N3 | 117.4° | 109.5° |
| C3 | C2 | H2 | 104.9° | 109.4° |
| C2 | C3 | O1 | 118.8° | 119.9° |
| C2 | C3 | N2 | 117.3° | 120.0° |
| N3 | C2 | H2 | 107.7° | 109.4° |
| C2 | N3 | C8 | 118.1° | 106.9° |
| C2 | N3 | C10 | 112.3° | 106.7° |
| O1 | C3 | N2 | 123.9° | 120.1° |
| C3 | N2 | C4 | 131.2° | 120.0° |
| C3 | N2 | HN2 | 109.4° | 120.0° |
| C4 | N2 | HN2 | 119.5° | 120.0° |
| N2 | C4 | C5 | 109.1° | 109.5° |
| N2 | C4 | C6 | 112.6° | 109.5° |
| N2 | C4 | C7 | 114.7° | 109.4° |
| C5 | C4 | C6 | 104.5° | 109.5° |
| C5 | C4 | C7 | 106.9° | 109.4° |
| C4 | C5 | H51 | 112.3° | 109.6° |
| C4 | C5 | H52 | 109.1° | 109.5° |
| C4 | C5 | H53 | 112.3° | 109.5° |
| C6 | C4 | C7 | 108.5° | 109.4° |
| C4 | C6 | H61 | 111.1° | 109.4° |
| C4 | C6 | H62 | 112.6° | 109.5° |
| C4 | C6 | H63 | 111.1° | 109.4° |
| C4 | C7 | H71 | 110.3° | 109.5° |
| C4 | C7 | H72 | 114.7° | 109.5° |
| C4 | C7 | H73 | 110.3° | 109.5° |
| H51 | C5 | H52 | 112.3° | 109.4° |
| H51 | C5 | H53 | 98.2° | 109.5° |
| H52 | C5 | H53 | 112.3° | 109.4° |
| H61 | C6 | H62 | 111.0° | 109.5° |
| H61 | C6 | H63 | 99.3° | 109.4° |
| H62 | C6 | H63 | 111.1° | 109.5° |
| H71 | C7 | H72 | 110.3° | 109.5° |
| H71 | C7 | H73 | 100.0° | 109.4° |
| H72 | C7 | H73 | 110.3° | 109.5° |
| C8 | N3 | C10 | 106.3° | 106.7° |
| N3 | C8 | C9 | 107.6° | 109.7° |
| N3 | C8 | H81 | 112.9° | 109.5° |
| N3 | C8 | H82 | 112.9° | 109.5° |
| N3 | C10 | C11 | 110.9° | 109.5° |
| N3 | C10 | H101 | 111.7° | 109.5° |
| N3 | C10 | H102 | 111.7° | 109.5° |
| C9 | C8 | H81 | 112.9° | 109.4° |
| C9 | C8 | H82 | 112.9° | 109.4° |
| C8 | C9 | H91 | 110.4° | 109.4° |
| C8 | C9 | H92 | 110.4° | 109.5° |
| H81 | C8 | H82 | 97.6° | 109.4° |
| H91 | C9 | H92 | 99.9° | 109.4° |
| C11 | C10 | H101 | 111.7° | 109.5° |
| C11 | C10 | H102 | 111.7° | 109.5° |
| C10 | C11 | O2 | 94.3° | 109.5° |
| C10 | C11 | C12 | 120.8° | 109.5° |
| C10 | C11 | H11 | 111.1° | 109.5° |
| H101 | C10 | H102 | 98.7° | 109.4° |
| O2 | C11 | C12 | 104.6° | 109.4° |
| O2 | C11 | H11 | 125.9° | 109.5° |
| C11 | O2 | HO2 | 94.3° | 106.8° |
| C12 | C11 | H11 | 101.9° | 109.4° |
| C11 | C12 | C13 | 120.4° | 109.5° |
| C11 | C12 | H121 | 108.3° | 109.4° |
| C11 | C12 | H122 | 108.3° | 109.5° |
| C13 | C12 | H121 | 108.3° | 109.5° |
| C13 | C12 | H122 | 108.3° | 109.5° |
| C12 | C13 | C14 | 109.8° | 109.5° |
| C12 | C13 | C21 | 112.6° | 109.5° |
| C12 | C13 | H13 | 106.5° | 109.4° |
| H121 | C12 | H122 | 101.6° | 109.5° |
| C14 | C13 | C21 | 107.5° | 109.5° |
| C14 | C13 | H13 | 111.7° | 109.5° |
| C13 | C14 | C15 | 111.5° | 109.5° |
| C13 | C14 | H141 | 111.4° | 109.5° |
| C13 | C14 | H142 | 111.4° | 109.4° |
| C21 | C13 | H13 | 108.8° | 109.4° |
| C13 | C21 | O3 | 125.2° | 120.0° |
| C13 | C21 | N4 | 110.3° | 120.0° |
| C15 | C14 | H141 | 111.5° | 109.5° |
| C15 | C14 | H142 | 111.4° | 109.5° |
| C14 | C15 | C16 | 121.7° | 120.0° |
| C14 | C15 | C20 | 117.9° | 120.1° |
| H141 | C14 | H142 | 99.0° | 109.5° |
| C16 | C15 | C20 | 120.5° | 120.0° |
| C15 | C16 | C17 | 119.7° | 120.0° |
| C15 | C16 | H16 | 121.6° | 120.0° |
| C15 | C20 | C19 | 120.3° | 120.0° |
| C15 | C20 | H20 | 120.6° | 120.0° |
| C17 | C16 | H16 | 118.7° | 120.0° |
| C16 | C17 | C18 | 119.1° | 120.0° |
| C16 | C17 | H17 | 119.3° | 120.0° |
| C18 | C17 | H17 | 121.6° | 120.0° |
| C17 | C18 | C19 | 120.5° | 120.1° |
| C17 | C18 | H18 | 120.0° | 120.0° |
| C19 | C18 | H18 | 119.5° | 120.0° |
| C18 | C19 | C20 | 120.0° | 119.9° |
| C18 | C19 | H19 | 121.4° | 120.1° |
| C20 | C19 | H19 | 118.7° | 120.0° |
| C19 | C20 | H20 | 119.1° | 120.0° |
| O3 | C21 | N4 | 124.5° | 120.0° |
| C21 | N4 | C22 | 125.6° | 120.0° |
| C21 | N4 | HN4 | 111.7° | 120.0° |
| C22 | N4 | HN4 | 122.7° | 120.0° |
| N4 | C22 | C23 | 112.3° | 110.3° |
| N4 | C22 | C30 | 119.0° | 110.3° |
| N4 | C22 | H22 | 98.4° | 110.2° |
| C23 | C22 | C30 | 101.6° | 105.3° |
| C23 | C22 | H22 | 116.7° | 110.3° |
| C22 | C23 | O4 | 111.5° | 110.8° |
| C22 | C23 | C24 | 104.2° | 102.4° |
| C22 | C23 | H23 | 113.6° | 110.9° |
| C30 | C22 | H22 | 109.7° | 110.4° |
| C22 | C30 | C25 | 109.0° | 109.7° |
| C22 | C30 | C29 | 133.5° | 130.5° |
| O4 | C23 | C24 | 114.7° | 110.9° |
| O4 | C23 | H23 | 102.8° | 110.7° |
| C23 | O4 | HO4 | 111.5° | 106.8° |
| C24 | C23 | H23 | 110.3° | 110.8° |
| C23 | C24 | C25 | 107.9° | 105.2° |
| C23 | C24 | H241 | 112.8° | 110.4° |
| C23 | C24 | H242 | 112.8° | 110.3° |
| C25 | C24 | H241 | 112.8° | 110.3° |
| C25 | C24 | H242 | 112.8° | 110.3° |
| C24 | C25 | C26 | 138.3° | 130.4° |
| C24 | C25 | C30 | 101.0° | 109.8° |
| H241 | C24 | H242 | 97.7° | 110.3° |
| C26 | C25 | C30 | 120.7° | 119.8° |
| C25 | C26 | C27 | 117.9° | 120.2° |
| C25 | C26 | H26 | 119.4° | 119.9° |
| C25 | C30 | C29 | 117.5° | 119.9° |
| C27 | C26 | H26 | 122.7° | 119.9° |
| C26 | C27 | C28 | 121.7° | 119.9° |
| C26 | C27 | H27 | 118.4° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| C27 | C28 | C29 | 120.9° | 120.0° |
| C27 | C28 | H28 | 121.6° | 120.0° |
| C29 | C28 | H28 | 117.5° | 120.0° |
| C28 | C29 | C30 | 121.3° | 120.2° |
| C28 | C29 | H29 | 119.9° | 119.9° |
| C30 | C29 | H29 | 118.9° | 119.9° |
| C32 | C31 | H311 | 109.7° | 109.5° |
| C32 | C31 | H312 | 109.8° | 109.5° |
| C31 | C32 | C33 | 121.1° | 119.9° |
| C31 | C32 | C36 | 120.1° | 119.9° |
| H311 | C31 | H312 | 100.4° | 109.5° |
| C33 | C32 | C36 | 118.9° | 120.1° |
| C32 | C33 | C37 | 124.3° | 120.1° |
| C32 | C33 | H33 | 117.6° | 119.9° |
| C32 | C36 | C35 | 119.6° | 120.0° |
| C32 | C36 | H36 | 120.0° | 120.1° |
| C37 | C33 | H33 | 118.1° | 120.0° |
| C33 | C37 | C34 | 112.9° | 120.1° |
| C33 | C37 | H37 | 123.3° | 120.0° |
| C35 | C34 | O5 | 107.7° | 108.6° |
| C35 | C34 | C37 | 125.9° | 119.8° |
| C34 | C35 | C36 | 118.4° | 119.8° |
| C34 | C35 | O6 | 104.4° | 108.6° |
| O5 | C34 | C37 | 126.4° | 131.6° |
| C34 | O5 | C38 | 115.4° | 105.5° |
| C34 | C37 | H37 | 123.8° | 120.0° |
| C36 | C35 | O6 | 137.2° | 131.6° |
| C35 | C36 | H36 | 120.3° | 119.9° |
| C35 | O6 | C38 | 117.5° | 105.5° |
| O5 | C38 | O6 | 95.1° | 103.7° |
| O5 | C38 | H381 | 117.9° | 110.6° |
| O5 | C38 | H382 | 117.9° | 110.6° |
| O6 | C38 | H381 | 117.9° | 110.6° |
| O6 | C38 | H382 | 117.8° | 110.6° |
| H381 | C38 | H382 | 92.4° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C9 | C31 | 122.0° | 113.8° |
| N1 | C1 | C2 | H11A | 125.3° | 120.0° |
| N1 | C1 | C2 | H12 | 125.3° | 120.1° |
| N1 | C1 | H11A | H12 | 116.0° | 119.9° |
| N1 | C1 | C2 | C3 | 179.4° | 177.0° |
| N1 | C1 | C2 | N3 | 55.7° | 62.9° |
| N1 | C1 | C2 | H2 | 63.2° | 57.1° |
| C1 | N1 | C9 | C8 | 58.1° | 61.2° |
| C1 | N1 | C9 | H91 | 176.6° | 58.8° |
| C1 | N1 | C9 | H92 | 67.2° | 178.7° |
| C1 | N1 | C31 | C32 | 62.8° | 180.0° |
| C1 | N1 | C31 | H311 | 62.4° | 60.0° |
| C1 | N1 | C31 | H312 | 171.9° | 60.0° |
| C9 | N1 | C1 | C2 | 61.6° | 61.2° |
| C9 | N1 | C1 | H11A | 63.7° | 58.8° |
| C9 | N1 | C1 | H12 | 173.2° | 178.7° |
| N1 | C9 | C8 | N3 | 54.3° | 63.0° |
| N1 | C9 | C8 | H91 | 125.3° | 120.0° |
| N1 | C9 | C8 | H92 | 125.3° | 120.0° |
| N1 | C9 | C8 | H81 | 179.6° | 176.9° |
| N1 | C9 | C8 | H82 | 70.9° | 57.1° |
| N1 | C9 | H91 | H92 | 116.2° | 119.8° |
| C9 | N1 | C31 | C32 | 177.8° | 66.0° |
| C9 | N1 | C31 | H311 | 57.0° | 53.9° |
| C9 | N1 | C31 | H312 | 52.5° | 173.9° |
| C31 | N1 | C1 | C2 | 178.6° | 175.1° |
| C31 | N1 | C1 | H11A | 56.2° | 55.1° |
| C31 | N1 | C1 | H12 | 53.3° | 64.8° |
| C31 | N1 | C9 | C8 | 179.9° | 175.0° |
| C31 | N1 | C9 | H91 | 54.6° | 55.0° |
| C31 | N1 | C9 | H92 | 54.8° | 64.9° |
| N1 | C31 | C32 | H311 | 125.2° | 120.0° |
| N1 | C31 | C32 | H312 | 125.3° | 120.0° |
| N1 | C31 | H311 | H312 | 115.6° | 120.0° |
| N1 | C31 | C32 | C33 | 74.2° | 90.0° |
| N1 | C31 | C32 | C36 | 105.6° | 90.3° |
| C2 | C1 | H11A | H12 | 115.9° | 120.0° |
| C1 | C2 | C3 | N3 | 114.0° | 120.2° |
| C1 | C2 | C3 | H2 | 126.6° | 119.9° |
| C1 | C2 | N3 | H2 | 126.5° | 120.0° |
| C1 | C2 | C3 | O1 | 75.5° | 120.1° |
| C1 | C2 | C3 | N2 | 105.1° | 59.8° |
| C1 | C2 | N3 | C8 | 53.5° | 61.2° |
| C1 | C2 | N3 | C10 | 177.8° | 175.1° |
| H11A | C1 | C2 | C3 | 54.1° | 63.0° |
| H11A | C1 | C2 | N3 | 69.6° | 57.1° |
| H11A | C1 | C2 | H2 | 171.6° | 177.1° |
| H12 | C1 | C2 | C3 | 55.4° | 56.9° |
| H12 | C1 | C2 | N3 | 179.0° | 177.0° |
| H12 | C1 | C2 | H2 | 62.1° | 63.0° |
| C3 | C2 | N3 | H2 | 117.9° | 119.9° |
| C2 | C3 | O1 | N2 | 179.3° | 179.9° |
| C2 | C3 | N2 | C4 | 178.7° | 180.0° |
| C2 | C3 | N2 | HN2 | 1.3° | 0.1° |
| C3 | C2 | N3 | C8 | 169.0° | 178.7° |
| C3 | C2 | N3 | C10 | 66.6° | 64.8° |
| N3 | C2 | C3 | O1 | 38.4° | 0.1° |
| N3 | C2 | C3 | N2 | 140.9° | 180.0° |
| C2 | N3 | C8 | C10 | 127.3° | 113.9° |
| C2 | N3 | C8 | C9 | 53.0° | 61.3° |
| C2 | N3 | C8 | H81 | 178.3° | 178.7° |
| C2 | N3 | C8 | H82 | 72.3° | 58.8° |
| C2 | N3 | C10 | C11 | 132.4° | 168.7° |
| C2 | N3 | C10 | H101 | 7.2° | 71.2° |
| C2 | N3 | C10 | H102 | 102.3° | 48.7° |
| H2 | C2 | C3 | O1 | 157.9° | 120.1° |
| H2 | C2 | C3 | N2 | 21.5° | 60.0° |
| H2 | C2 | N3 | C8 | 73.0° | 58.7° |
| H2 | C2 | N3 | C10 | 51.3° | 55.1° |
| O1 | C3 | N2 | C4 | 0.7° | 0.1° |
| O1 | C3 | N2 | HN2 | 179.4° | 180.0° |
| C3 | N2 | C4 | HN2 | 180.0° | 179.9° |
| C3 | N2 | C4 | C5 | 178.7° | 180.0° |
| C3 | N2 | C4 | C6 | 65.8° | 59.9° |
| C3 | N2 | C4 | C7 | 58.9° | 60.1° |
| N2 | C4 | C5 | C6 | 120.6° | 120.1° |
| N2 | C4 | C5 | C7 | 124.5° | 119.9° |
| N2 | C4 | C6 | C7 | 128.0° | 120.0° |
| N2 | C4 | C5 | H51 | 54.8° | 180.0° |
| N2 | C4 | C5 | H52 | 180.0° | 60.1° |
| N2 | C4 | C5 | H53 | 54.8° | 59.9° |
| N2 | C4 | C6 | H61 | 54.8° | 60.0° |
| N2 | C4 | C6 | H62 | 180.0° | 180.0° |
| N2 | C4 | C6 | H63 | 54.7° | 59.9° |
| N2 | C4 | C7 | H71 | 54.7° | 60.0° |
| N2 | C4 | C7 | H72 | 180.0° | 60.0° |
| N2 | C4 | C7 | H73 | 54.8° | 179.9° |
| HN2 | N2 | C4 | C5 | 1.3° | 0.1° |
| HN2 | N2 | C4 | C6 | 114.2° | 120.0° |
| HN2 | N2 | C4 | C7 | 121.1° | 120.0° |
| C5 | C4 | C6 | C7 | 113.7° | 120.0° |
| C4 | C5 | H51 | H52 | 123.5° | 120.0° |
| C4 | C5 | H51 | H53 | 118.3° | 120.1° |
| C4 | C5 | H52 | H53 | 125.2° | 120.0° |
| C5 | C4 | C6 | H61 | 63.5° | 60.1° |
| C5 | C4 | C6 | H62 | 61.7° | 59.9° |
| C5 | C4 | C6 | H63 | 173.0° | 180.0° |
| C5 | C4 | C7 | H71 | 175.8° | 60.0° |
| C5 | C4 | C7 | H72 | 58.9° | 180.0° |
| C5 | C4 | C7 | H73 | 66.3° | 59.9° |
| C6 | C4 | C5 | H51 | 175.4° | 59.9° |
| C6 | C4 | C5 | H52 | 59.4° | 60.0° |
| C6 | C4 | C5 | H53 | 65.8° | 180.0° |
| C4 | C6 | H61 | H62 | 126.1° | 120.0° |
| C4 | C6 | H61 | H63 | 116.9° | 119.9° |
| C4 | C6 | H62 | H63 | 125.3° | 120.0° |
| C6 | C4 | C7 | H71 | 72.1° | 180.0° |
| C6 | C4 | C7 | H72 | 53.2° | 60.0° |
| C6 | C4 | C7 | H73 | 178.4° | 60.0° |
| C7 | C4 | C5 | H51 | 69.8° | 60.0° |
| C7 | C4 | C5 | H52 | 55.5° | 180.0° |
| C7 | C4 | C5 | H53 | 179.3° | 60.0° |
| C7 | C4 | C6 | H61 | 177.2° | 180.0° |
| C7 | C4 | C6 | H62 | 52.0° | 60.0° |
| C7 | C4 | C6 | H63 | 73.3° | 60.1° |
| C4 | C7 | H71 | H72 | 127.7° | 120.0° |
| C4 | C7 | H71 | H73 | 116.2° | 119.9° |
| C4 | C7 | H72 | H73 | 125.3° | 120.0° |
| H51 | C5 | H52 | H53 | 109.5° | 119.9° |
| 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° | 120.1° |
| N3 | C8 | H81 | H82 | 118.8° | 120.0° |
| N3 | C8 | C9 | H91 | 179.6° | 57.0° |
| N3 | C8 | C9 | H92 | 70.9° | 177.0° |
| C8 | N3 | C10 | C11 | 96.9° | 77.3° |
| C8 | N3 | C10 | H101 | 137.8° | 42.8° |
| C8 | N3 | C10 | H102 | 28.4° | 162.7° |
| C10 | N3 | C8 | C9 | 179.7° | 175.1° |
| C10 | N3 | C8 | H81 | 54.5° | 64.8° |
| C10 | N3 | C8 | H82 | 55.0° | 55.1° |
| N3 | C10 | C11 | H101 | 125.3° | 120.0° |
| N3 | C10 | C11 | H102 | 125.3° | 120.0° |
| N3 | C10 | H101 | H102 | 117.6° | 120.0° |
| N3 | C10 | C11 | O2 | 153.2° | 66.7° |
| N3 | C10 | C11 | C12 | 97.0° | 173.3° |
| N3 | C10 | C11 | H11 | 22.0° | 53.4° |
| C9 | C8 | H81 | H82 | 118.8° | 119.8° |
| C8 | C9 | H91 | H92 | 116.2° | 120.0° |
| H81 | C8 | C9 | H91 | 55.1° | 63.1° |
| H81 | C8 | C9 | H92 | 54.3° | 56.9° |
| H82 | C8 | C9 | H91 | 54.3° | 177.2° |
| H82 | C8 | C9 | H92 | 163.8° | 62.9° |
| C11 | C10 | H101 | H102 | 117.6° | 120.0° |
| C10 | C11 | O2 | C12 | 123.4° | 120.0° |
| C10 | C11 | O2 | H11 | 119.9° | 120.0° |
| C10 | C11 | C12 | H11 | 123.6° | 120.0° |
| C10 | C11 | O2 | HO2 | 180.0° | 60.0° |
| C10 | C11 | C12 | C13 | 179.8° | 172.9° |
| C10 | C11 | C12 | H121 | 54.9° | 67.1° |
| C10 | C11 | C12 | H122 | 54.6° | 52.9° |
| H101 | C10 | C11 | O2 | 81.5° | 53.4° |
| H101 | C10 | C11 | C12 | 28.2° | 66.6° |
| H101 | C10 | C11 | H11 | 147.3° | 173.4° |
| H102 | C10 | C11 | O2 | 27.9° | 173.3° |
| H102 | C10 | C11 | C12 | 137.7° | 53.3° |
| H102 | C10 | C11 | H11 | 103.3° | 66.7° |
| O2 | C11 | C12 | H11 | 132.3° | 120.0° |
| O2 | C11 | C12 | C13 | 75.7° | 67.1° |
| O2 | C11 | C12 | H121 | 159.0° | 52.9° |
| O2 | C11 | C12 | H122 | 49.6° | 172.9° |
| C12 | C11 | O2 | HO2 | 56.6° | 60.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 113.9° | 120.0° |
| C11 | C12 | C13 | C14 | 179.7° | 68.7° |
| C11 | C12 | C13 | C21 | 60.6° | 171.2° |
| C11 | C12 | C13 | H13 | 58.6° | 51.3° |
| H11 | C11 | O2 | HO2 | 60.1° | 180.0° |
| H11 | C11 | C12 | C13 | 56.6° | 52.9° |
| H11 | C11 | C12 | H121 | 68.7° | 172.9° |
| H11 | C11 | C12 | H122 | 178.1° | 67.2° |
| C13 | C12 | H121 | H122 | 114.0° | 120.0° |
| C12 | C13 | C14 | C21 | 122.8° | 120.0° |
| C12 | C13 | C14 | H13 | 117.9° | 120.0° |
| C12 | C13 | C21 | H13 | 117.8° | 119.9° |
| C12 | C13 | C14 | C15 | 179.9° | 178.5° |
| C12 | C13 | C14 | H141 | 54.8° | 58.4° |
| C12 | C13 | C14 | H142 | 54.7° | 61.6° |
| C12 | C13 | C21 | O3 | 35.6° | 39.8° |
| C12 | C13 | C21 | N4 | 145.4° | 140.2° |
| H121 | C12 | C13 | C14 | 55.1° | 51.2° |
| H121 | C12 | C13 | C21 | 64.7° | 68.8° |
| H121 | C12 | C13 | H13 | 176.2° | 171.2° |
| H122 | C12 | C13 | C14 | 54.4° | 171.2° |
| H122 | C12 | C13 | C21 | 174.1° | 51.1° |
| H122 | C12 | C13 | H13 | 66.7° | 68.8° |
| C14 | C13 | C21 | H13 | 121.1° | 120.0° |
| C13 | C14 | C15 | H141 | 125.2° | 120.1° |
| C13 | C14 | C15 | H142 | 125.2° | 119.9° |
| C13 | C14 | H141 | H142 | 117.3° | 119.9° |
| C13 | C14 | C15 | C16 | 63.4° | 84.1° |
| C13 | C14 | C15 | C20 | 116.0° | 96.3° |
| C14 | C13 | C21 | O3 | 85.5° | 80.2° |
| C14 | C13 | C21 | N4 | 93.5° | 99.7° |
| C21 | C13 | C14 | C15 | 57.2° | 61.5° |
| C21 | C13 | C14 | H141 | 68.1° | 178.5° |
| C21 | C13 | C14 | H142 | 177.6° | 58.5° |
| C13 | C21 | O3 | N4 | 178.8° | 179.9° |
| C13 | C21 | N4 | C22 | 178.7° | 174.8° |
| C13 | C21 | N4 | HN4 | 1.3° | 5.2° |
| H13 | C13 | C14 | C15 | 62.0° | 58.5° |
| H13 | C13 | C14 | H141 | 172.7° | 61.5° |
| H13 | C13 | C14 | H142 | 63.2° | 178.5° |
| H13 | C13 | C21 | O3 | 153.4° | 159.8° |
| H13 | C13 | C21 | N4 | 27.6° | 20.3° |
| C15 | C14 | H141 | H142 | 117.4° | 120.0° |
| C14 | C15 | C16 | C20 | 179.4° | 179.7° |
| C14 | C15 | C16 | C17 | 179.3° | 180.0° |
| C14 | C15 | C16 | H16 | 0.6° | 0.1° |
| C14 | C15 | C20 | C19 | 179.4° | 179.8° |
| C14 | C15 | C20 | H20 | 0.7° | 0.2° |
| H141 | C14 | C15 | C16 | 171.3° | 36.0° |
| H141 | C14 | C15 | C20 | 9.2° | 143.7° |
| H142 | C14 | C15 | C16 | 61.8° | 156.0° |
| H142 | C14 | C15 | C20 | 118.8° | 23.6° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.0° | 0.0° |
| C15 | C16 | C17 | H17 | 180.0° | 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 | 180.0° | 179.7° |
| C15 | C20 | C19 | C18 | 0.0° | 0.5° |
| 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 | 180.0° | 180.0° |
| H16 | C16 | C17 | H17 | 0.0° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.0° | 0.2° |
| C17 | C18 | C19 | H19 | 180.0° | 180.0° |
| H17 | C17 | C18 | C19 | 180.0° | 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 | 0.0° | 0.1° |
| O3 | C21 | N4 | C22 | 0.2° | 5.3° |
| O3 | C21 | N4 | HN4 | 179.8° | 174.7° |
| C21 | N4 | C22 | HN4 | 180.0° | 180.0° |
| C21 | N4 | C22 | C23 | 161.8° | 153.2° |
| C21 | N4 | C22 | C30 | 79.8° | 91.0° |
| C21 | N4 | C22 | H22 | 38.3° | 31.2° |
| N4 | C22 | C23 | C30 | 128.2° | 119.0° |
| N4 | C22 | C23 | H22 | 112.5° | 122.0° |
| N4 | C22 | C30 | H22 | 112.0° | 122.1° |
| N4 | C22 | C23 | O4 | 41.9° | 26.9° |
| N4 | C22 | C23 | C24 | 166.1° | 145.2° |
| N4 | C22 | C23 | H23 | 73.8° | 96.5° |
| N4 | C22 | C30 | C25 | 147.2° | 136.0° |
| N4 | C22 | C30 | C29 | 33.0° | 43.8° |
| HN4 | N4 | C22 | C23 | 18.2° | 26.8° |
| HN4 | N4 | C22 | C30 | 100.2° | 89.1° |
| HN4 | N4 | C22 | H22 | 141.7° | 148.8° |
| C23 | C22 | C30 | H22 | 124.2° | 118.9° |
| C22 | C23 | O4 | C24 | 118.1° | 113.0° |
| C22 | C23 | O4 | H23 | 122.1° | 123.5° |
| C22 | C23 | C24 | H23 | 122.3° | 118.3° |
| C22 | C23 | O4 | HO4 | 180.0° | 175.6° |
| C22 | C23 | C24 | C25 | 40.5° | 26.3° |
| C22 | C23 | C24 | H241 | 84.7° | 145.3° |
| C22 | C23 | C24 | H242 | 165.8° | 92.7° |
| C23 | C22 | C30 | C25 | 23.4° | 17.1° |
| C23 | C22 | C30 | C29 | 156.8° | 162.8° |
| C30 | C22 | C23 | O4 | 86.4° | 92.1° |
| C30 | C22 | C23 | C24 | 37.9° | 26.2° |
| C30 | C22 | C23 | H23 | 158.0° | 144.5° |
| C22 | C30 | C25 | C24 | 0.2° | 0.1° |
| C22 | C30 | C25 | C26 | 179.8° | 180.0° |
| C22 | C30 | C25 | C29 | 179.9° | 179.8° |
| C22 | C30 | C29 | C28 | 179.8° | 179.9° |
| C22 | C30 | C29 | H29 | 0.2° | 0.1° |
| H22 | C22 | C23 | O4 | 154.4° | 148.9° |
| H22 | C22 | C23 | C24 | 81.3° | 92.8° |
| H22 | C22 | C23 | H23 | 38.7° | 25.5° |
| H22 | C22 | C30 | C25 | 100.8° | 101.9° |
| H22 | C22 | C30 | C29 | 79.1° | 78.3° |
| O4 | C23 | C24 | H23 | 115.5° | 123.4° |
| O4 | C23 | C24 | C25 | 81.6° | 92.0° |
| O4 | C23 | C24 | H241 | 153.1° | 27.0° |
| O4 | C23 | C24 | H242 | 43.6° | 149.1° |
| C24 | C23 | O4 | HO4 | 61.9° | 62.5° |
| C23 | C24 | C25 | H241 | 125.2° | 119.0° |
| C23 | C24 | C25 | H242 | 125.2° | 118.9° |
| C23 | C24 | H241 | H242 | 118.7° | 122.1° |
| C23 | C24 | C25 | C26 | 155.9° | 162.9° |
| C23 | C24 | C25 | C30 | 24.1° | 17.2° |
| H23 | C23 | O4 | HO4 | 57.9° | 60.9° |
| H23 | C23 | C24 | C25 | 162.8° | 144.6° |
| H23 | C23 | C24 | H241 | 37.6° | 96.4° |
| H23 | C23 | C24 | H242 | 71.9° | 25.7° |
| C25 | C24 | H241 | H242 | 118.7° | 122.1° |
| C24 | C25 | C26 | C30 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 179.9° | 180.0° |
| C24 | C25 | C26 | H26 | 0.1° | 0.0° |
| C24 | C25 | C30 | C29 | 179.9° | 179.9° |
| H241 | C24 | C25 | C26 | 78.9° | 43.9° |
| H241 | C24 | C25 | C30 | 101.2° | 136.2° |
| H242 | C24 | C25 | C26 | 30.7° | 78.2° |
| H242 | C24 | C25 | C30 | 149.3° | 101.7° |
| 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 | 0.1° | 0.2° |
| C30 | C25 | C26 | C27 | 0.1° | 0.1° |
| C30 | C25 | C26 | H26 | 179.9° | 179.9° |
| C25 | C30 | C29 | C28 | 0.0° | 0.1° |
| C25 | C30 | C29 | H29 | 180.0° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C26 | C27 | C28 | H28 | 180.0° | 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° | 0.0° |
| C27 | C28 | C29 | H29 | 180.0° | 180.0° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | H28 | 0.0° | 0.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| H28 | C28 | C29 | C30 | 180.0° | 180.0° |
| H28 | C28 | C29 | H29 | 0.0° | 0.0° |
| C32 | C31 | H311 | H312 | 115.6° | 120.0° |
| C31 | C32 | C33 | C36 | 179.8° | 179.7° |
| C31 | C32 | C33 | C37 | 179.5° | 180.0° |
| C31 | C32 | C33 | H33 | 0.5° | 0.1° |
| C31 | C32 | C36 | C35 | 179.4° | 179.7° |
| C31 | C32 | C36 | H36 | 0.6° | 0.0° |
| H311 | C31 | C32 | C33 | 160.6° | 30.0° |
| H311 | C31 | C32 | C36 | 19.6° | 149.7° |
| H312 | C31 | C32 | C33 | 51.1° | 150.0° |
| H312 | C31 | C32 | C36 | 129.1° | 29.7° |
| C32 | C33 | C37 | H33 | 180.0° | 180.0° |
| C32 | C33 | C37 | C34 | 0.3° | 0.0° |
| C33 | C32 | C36 | C35 | 0.4° | 0.6° |
| C33 | C32 | C36 | H36 | 179.6° | 179.7° |
| C32 | C33 | C37 | H37 | 179.7° | 179.9° |
| C36 | C32 | C33 | C37 | 0.3° | 0.3° |
| C36 | C32 | C33 | H33 | 179.7° | 179.7° |
| C32 | C36 | C35 | C34 | 0.5° | 0.6° |
| C32 | C36 | C35 | H36 | 180.0° | 179.7° |
| C32 | C36 | C35 | O6 | 179.8° | 179.8° |
| C33 | C37 | C34 | C35 | 0.5° | 0.0° |
| C33 | C37 | C34 | O5 | 179.7° | 180.0° |
| C33 | C37 | C34 | H37 | 180.0° | 180.0° |
| H33 | C33 | C37 | C34 | 179.7° | 180.0° |
| H33 | C33 | C37 | H37 | 0.3° | 0.0° |
| C35 | C34 | O5 | C37 | 179.3° | 180.0° |
| C34 | C35 | C36 | O6 | 179.3° | 179.6° |
| C34 | C35 | C36 | H36 | 179.4° | 179.7° |
| C35 | C34 | O5 | C38 | 0.4° | 17.3° |
| C34 | C35 | O6 | C38 | 0.5° | 17.3° |
| C35 | C34 | C37 | H37 | 179.5° | 180.0° |
| O5 | C34 | C35 | C36 | 180.0° | 179.7° |
| O5 | C34 | C35 | O6 | 0.5° | 0.0° |
| C34 | O5 | C38 | O6 | 0.1° | 27.1° |
| C34 | O5 | C38 | H381 | 125.2° | 91.4° |
| C34 | O5 | C38 | H382 | 125.4° | 145.7° |
| O5 | C34 | C37 | H37 | 0.3° | 0.1° |
| C37 | C34 | C35 | C36 | 0.6° | 0.3° |
| C37 | C34 | C35 | O6 | 179.9° | 180.0° |
| C37 | C34 | O5 | C38 | 179.8° | 162.7° |
| C36 | C35 | O6 | C38 | 179.8° | 163.0° |
| O6 | C35 | C36 | H36 | 0.2° | 0.1° |
| C35 | O6 | C38 | O5 | 0.3° | 27.1° |
| C35 | O6 | C38 | H381 | 125.5° | 91.4° |
| C35 | O6 | C38 | H382 | 125.0° | 145.7° |
| O5 | C38 | O6 | H381 | 125.3° | 118.5° |
| O5 | C38 | O6 | H382 | 125.3° | 118.5° |
| O5 | C38 | H381 | H382 | 123.5° | 122.9° |
| O6 | C38 | H381 | H382 | 123.4° | 122.9° |
