GAN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.50Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | C4 | sing | 1.51Å | 1.53Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C3 | H33 | sing | 1.09Å | 1.11Å | |
| C4 | O5 | doub | 1.21Å | 1.23Å | |
| C4 | N6 | sing | 1.35Å | 1.32Å | |
| N6 | C7 | sing | 1.46Å | 1.46Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C9 | sing | 1.51Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.11Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C8 | H83 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | doub | 1.30Å | 1.39Å | |
| C9 | C20 | sing | 1.52Å | 1.52Å | |
| C10 | C11 | sing | 1.52Å | 1.55Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C19 | sing | 1.53Å | 1.53Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | N22 | sing | 1.45Å | 1.49Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | C21 | sing | 1.53Å | 1.56Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.12Å | |
| C21 | N22 | sing | 1.45Å | 1.50Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| N22 | C23 | sing | 1.47Å | 1.48Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.51Å | 1.56Å | |
| C23 | H23 | sing | 1.09Å | 1.11Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C24 | H243 | sing | 1.09Å | 1.12Å | |
| C25 | O26 | doub | 1.21Å | 1.24Å | |
| C25 | N27 | sing | 1.35Å | 1.35Å | |
| N27 | C28 | sing | 1.47Å | 1.46Å | |
| N27 | HN7 | sing | 0.97Å | 1.02Å | |
| C28 | C29 | sing | 1.53Å | 1.60Å | |
| C28 | C32 | sing | 1.51Å | 1.53Å | |
| C28 | H28 | sing | 1.09Å | 1.11Å | |
| C29 | C30 | sing | 1.53Å | 1.49Å | |
| C29 | C31 | sing | 1.53Å | 1.51Å | |
| C29 | H29 | sing | 1.09Å | 1.12Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C30 | H303 | sing | 1.09Å | 1.11Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C31 | H313 | sing | 1.09Å | 1.12Å | |
| C32 | O33 | doub | 1.21Å | 1.24Å | |
| C32 | N34 | sing | 1.35Å | 1.32Å | |
| N34 | C35 | sing | 1.46Å | 1.46Å | |
| N34 | HN4 | sing | 0.97Å | 1.02Å | |
| C35 | C37 | sing | 1.53Å | 1.57Å | |
| C35 | C40 | sing | 1.51Å | 1.55Å | |
| C35 | H35 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| C37 | C39 | sing | 1.53Å | 1.51Å | |
| C37 | H37 | sing | 1.09Å | 1.11Å | |
| C38 | H381 | sing | 1.09Å | 1.12Å | |
| C38 | H382 | sing | 1.09Å | 1.12Å | |
| C38 | H383 | sing | 1.09Å | 1.11Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C39 | H393 | sing | 1.09Å | 1.12Å | |
| C40 | O36 | doub | 1.21Å | 1.25Å | |
| C40 | O41 | sing | 1.34Å | 1.35Å | |
| O41 | C42 | sing | 1.45Å | 1.46Å | |
| C42 | H421 | sing | 1.09Å | 1.11Å | |
| C42 | H422 | sing | 1.09Å | 1.11Å | |
| C42 | H423 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | HN11 | 110.0° | 106.7° |
| C2 | N1 | HN12 | 112.0° | 106.7° |
| N1 | C2 | C3 | 109.9° | 109.5° |
| N1 | C2 | C4 | 107.9° | 109.4° |
| N1 | C2 | H2 | 110.2° | 109.4° |
| HN11 | N1 | HN12 | 112.0° | 106.7° |
| C3 | C2 | C4 | 109.5° | 109.5° |
| C3 | C2 | H2 | 108.6° | 109.4° |
| C2 | C3 | H31 | 109.9° | 109.5° |
| C2 | C3 | H32 | 112.0° | 109.4° |
| C2 | C3 | H33 | 112.0° | 109.5° |
| C4 | C2 | H2 | 110.6° | 109.5° |
| C2 | C4 | O5 | 118.2° | 120.0° |
| C2 | C4 | N6 | 119.3° | 120.0° |
| H31 | C3 | H32 | 112.0° | 109.5° |
| H31 | C3 | H33 | 112.1° | 109.5° |
| H32 | C3 | H33 | 98.4° | 109.5° |
| O5 | C4 | N6 | 122.5° | 120.1° |
| C4 | N6 | C7 | 122.3° | 120.0° |
| C4 | N6 | HN6 | 113.9° | 120.0° |
| C7 | N6 | HN6 | 123.7° | 120.0° |
| N6 | C7 | C8 | 107.9° | 109.5° |
| N6 | C7 | C9 | 105.4° | 109.5° |
| N6 | C7 | H7 | 114.6° | 109.5° |
| C8 | C7 | C9 | 113.6° | 109.5° |
| C8 | C7 | H7 | 106.5° | 109.4° |
| C7 | C8 | H81 | 108.0° | 109.5° |
| C7 | C8 | H82 | 112.8° | 109.5° |
| C7 | C8 | H83 | 112.8° | 109.5° |
| C9 | C7 | H7 | 109.1° | 109.5° |
| C7 | C9 | C10 | 119.0° | 120.0° |
| C7 | C9 | C20 | 118.7° | 120.1° |
| H81 | C8 | H82 | 112.8° | 109.5° |
| H81 | C8 | H83 | 112.8° | 109.5° |
| H82 | C8 | H83 | 97.6° | 109.5° |
| C10 | C9 | C20 | 122.1° | 119.9° |
| C9 | C10 | C11 | 122.7° | 119.8° |
| C9 | C10 | H10 | 113.1° | 120.1° |
| C9 | C20 | C21 | 116.4° | 108.2° |
| C9 | C20 | H201 | 109.7° | 109.7° |
| C9 | C20 | H202 | 109.7° | 109.7° |
| C11 | C10 | H10 | 124.2° | 120.1° |
| C10 | C11 | C12 | 109.4° | 109.7° |
| C10 | C11 | C19 | 113.3° | 108.2° |
| C10 | C11 | H11 | 107.3° | 109.7° |
| C12 | C11 | C19 | 110.7° | 109.7° |
| C12 | C11 | H11 | 110.1° | 109.7° |
| C11 | C12 | C13 | 104.2° | 109.5° |
| C11 | C12 | H121 | 114.2° | 109.5° |
| C11 | C12 | H122 | 114.2° | 109.5° |
| C19 | C11 | H11 | 105.9° | 109.7° |
| C11 | C19 | N22 | 106.1° | 111.3° |
| C11 | C19 | H191 | 113.4° | 109.1° |
| C11 | C19 | H192 | 113.4° | 109.1° |
| C13 | C12 | H121 | 114.2° | 109.5° |
| C13 | C12 | H122 | 114.2° | 109.4° |
| C12 | C13 | C14 | 119.1° | 120.0° |
| C12 | C13 | C18 | 120.4° | 120.0° |
| H121 | C12 | H122 | 96.3° | 109.5° |
| C14 | C13 | C18 | 120.4° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C13 | C18 | C17 | 118.9° | 120.0° |
| C13 | C18 | H18 | 121.0° | 120.0° |
| C15 | C14 | H14 | 119.9° | 120.0° |
| C14 | C15 | C16 | 119.8° | 120.0° |
| C14 | C15 | H15 | 120.4° | 120.0° |
| C16 | C15 | H15 | 119.9° | 120.0° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C16 | C17 | C18 | 120.9° | 120.0° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C18 | C17 | H17 | 119.4° | 119.9° |
| C17 | C18 | H18 | 120.1° | 120.1° |
| N22 | C19 | H191 | 113.5° | 109.1° |
| N22 | C19 | H192 | 113.5° | 109.1° |
| C19 | N22 | C21 | 119.3° | 112.7° |
| C19 | N22 | C23 | 118.6° | 106.7° |
| H191 | C19 | H192 | 97.0° | 109.0° |
| C21 | C20 | H201 | 109.7° | 109.7° |
| C21 | C20 | H202 | 109.7° | 109.7° |
| C20 | C21 | N22 | 116.0° | 111.2° |
| C20 | C21 | H211 | 109.8° | 109.1° |
| C20 | C21 | H212 | 109.8° | 109.1° |
| H201 | C20 | H202 | 100.4° | 109.8° |
| N22 | C21 | H211 | 109.8° | 109.2° |
| N22 | C21 | H212 | 109.9° | 109.1° |
| C21 | N22 | C23 | 116.8° | 106.7° |
| H211 | C21 | H212 | 100.4° | 109.1° |
| N22 | C23 | C24 | 104.0° | 109.4° |
| N22 | C23 | C25 | 122.5° | 109.4° |
| N22 | C23 | H23 | 105.2° | 109.5° |
| C24 | C23 | C25 | 111.4° | 109.5° |
| C24 | C23 | H23 | 117.8° | 109.5° |
| C23 | C24 | H241 | 104.0° | 109.5° |
| C23 | C24 | H242 | 114.3° | 109.5° |
| C23 | C24 | H243 | 114.3° | 109.5° |
| C25 | C23 | H23 | 96.6° | 109.5° |
| C23 | C25 | O26 | 119.4° | 120.0° |
| C23 | C25 | N27 | 118.8° | 120.0° |
| H241 | C24 | H242 | 114.3° | 109.5° |
| H241 | C24 | H243 | 114.3° | 109.4° |
| H242 | C24 | H243 | 96.1° | 109.4° |
| O26 | C25 | N27 | 121.8° | 120.0° |
| C25 | N27 | C28 | 125.6° | 120.0° |
| C25 | N27 | HN7 | 112.7° | 120.0° |
| C28 | N27 | HN7 | 121.7° | 120.0° |
| N27 | C28 | C29 | 110.0° | 109.4° |
| N27 | C28 | C32 | 111.8° | 109.5° |
| N27 | C28 | H28 | 108.1° | 109.5° |
| C29 | C28 | C32 | 111.0° | 109.5° |
| C29 | C28 | H28 | 108.9° | 109.4° |
| C28 | C29 | C30 | 107.6° | 109.5° |
| C28 | C29 | C31 | 114.8° | 109.5° |
| C28 | C29 | H29 | 106.6° | 109.5° |
| C32 | C28 | H28 | 107.0° | 109.5° |
| C28 | C32 | O33 | 120.9° | 120.0° |
| C28 | C32 | N34 | 116.3° | 120.1° |
| C30 | C29 | C31 | 108.0° | 109.4° |
| C30 | C29 | H29 | 113.7° | 109.4° |
| C29 | C30 | H301 | 107.6° | 109.6° |
| C29 | C30 | H302 | 112.9° | 109.4° |
| C29 | C30 | H303 | 112.9° | 109.5° |
| C31 | C29 | H29 | 106.3° | 109.5° |
| C29 | C31 | H311 | 114.9° | 109.5° |
| C29 | C31 | H312 | 110.3° | 109.4° |
| C29 | C31 | H313 | 110.3° | 109.5° |
| H301 | C30 | H302 | 112.9° | 109.4° |
| H301 | C30 | H303 | 112.9° | 109.5° |
| H302 | C30 | H303 | 97.6° | 109.5° |
| H311 | C31 | H312 | 110.2° | 109.4° |
| H311 | C31 | H313 | 110.2° | 109.5° |
| H312 | C31 | H313 | 99.9° | 109.5° |
| O33 | C32 | N34 | 122.8° | 119.9° |
| C32 | N34 | C35 | 124.6° | 120.1° |
| C32 | N34 | HN4 | 112.1° | 120.0° |
| C35 | N34 | HN4 | 123.3° | 120.0° |
| N34 | C35 | C37 | 119.0° | 109.4° |
| N34 | C35 | C40 | 99.0° | 109.5° |
| N34 | C35 | H35 | 109.4° | 109.5° |
| C37 | C35 | C40 | 106.0° | 109.5° |
| C37 | C35 | H35 | 102.8° | 109.5° |
| C35 | C37 | C38 | 117.3° | 109.5° |
| C35 | C37 | C39 | 103.3° | 109.4° |
| C35 | C37 | H37 | 107.0° | 109.5° |
| C40 | C35 | H35 | 121.7° | 109.5° |
| C35 | C40 | O36 | 119.2° | 120.0° |
| C35 | C40 | O41 | 121.0° | 120.0° |
| C38 | C37 | C39 | 104.0° | 109.5° |
| C38 | C37 | H37 | 106.3° | 109.5° |
| C37 | C38 | H381 | 117.3° | 109.5° |
| C37 | C38 | H382 | 109.4° | 109.4° |
| C37 | C38 | H383 | 109.4° | 109.4° |
| C39 | C37 | H37 | 119.6° | 109.5° |
| C37 | C39 | H391 | 103.3° | 109.5° |
| C37 | C39 | H392 | 114.6° | 109.5° |
| C37 | C39 | H393 | 114.6° | 109.4° |
| H381 | C38 | H382 | 109.3° | 109.4° |
| H381 | C38 | H383 | 109.4° | 109.5° |
| H382 | C38 | H383 | 100.8° | 109.5° |
| H391 | C39 | H392 | 114.6° | 109.5° |
| H391 | C39 | H393 | 114.5° | 109.5° |
| H392 | C39 | H393 | 95.9° | 109.5° |
| O36 | C40 | O41 | 116.0° | 120.0° |
| C40 | O41 | C42 | 117.4° | 120.0° |
| O41 | C42 | H421 | 117.4° | 109.5° |
| O41 | C42 | H422 | 109.3° | 109.5° |
| O41 | C42 | H423 | 109.3° | 109.5° |
| H421 | C42 | H422 | 109.4° | 109.4° |
| H421 | C42 | H423 | 109.3° | 109.4° |
| H422 | C42 | H423 | 100.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | HN11 | HN12 | 125.3° | 113.8° |
| N1 | C2 | C3 | C4 | 118.5° | 120.0° |
| N1 | C2 | C3 | H2 | 120.6° | 120.0° |
| N1 | C2 | C4 | H2 | 120.6° | 120.0° |
| N1 | C2 | C3 | H31 | 180.0° | 60.0° |
| N1 | C2 | C3 | H32 | 54.7° | 60.0° |
| N1 | C2 | C3 | H33 | 54.7° | 180.0° |
| N1 | C2 | C4 | O5 | 56.2° | 30.0° |
| N1 | C2 | C4 | N6 | 124.1° | 150.0° |
| HN11 | N1 | C2 | C3 | 180.0° | 53.8° |
| HN11 | N1 | C2 | C4 | 60.6° | 173.8° |
| HN11 | N1 | C2 | H2 | 60.3° | 66.2° |
| HN12 | N1 | C2 | C3 | 54.8° | 60.0° |
| HN12 | N1 | C2 | C4 | 174.2° | 60.0° |
| HN12 | N1 | C2 | H2 | 64.9° | 180.0° |
| C3 | C2 | C4 | H2 | 119.7° | 120.0° |
| C2 | C3 | H31 | H32 | 125.2° | 120.0° |
| C2 | C3 | H31 | H33 | 125.3° | 120.0° |
| C2 | C3 | H32 | H33 | 117.9° | 120.0° |
| C3 | C2 | C4 | O5 | 63.5° | 90.0° |
| C3 | C2 | C4 | N6 | 116.2° | 90.0° |
| C4 | C2 | C3 | H31 | 61.6° | 180.0° |
| C4 | C2 | C3 | H32 | 173.2° | 60.0° |
| C4 | C2 | C3 | H33 | 63.7° | 60.0° |
| C2 | C4 | O5 | N6 | 179.8° | 179.9° |
| C2 | C4 | N6 | C7 | 179.9° | 180.0° |
| C2 | C4 | N6 | HN6 | 0.1° | 0.0° |
| H2 | C2 | C3 | H31 | 59.4° | 59.9° |
| H2 | C2 | C3 | H32 | 65.9° | 179.9° |
| H2 | C2 | C3 | H33 | 175.3° | 60.0° |
| H2 | C2 | C4 | O5 | 176.8° | 150.0° |
| H2 | C2 | C4 | N6 | 3.5° | 30.0° |
| H31 | C3 | H32 | H33 | 118.0° | 120.0° |
| O5 | C4 | N6 | C7 | 0.3° | 0.0° |
| O5 | C4 | N6 | HN6 | 179.7° | 179.9° |
| C4 | N6 | C7 | HN6 | 180.0° | 180.0° |
| C4 | N6 | C7 | C8 | 88.4° | 90.0° |
| C4 | N6 | C7 | C9 | 149.9° | 150.0° |
| C4 | N6 | C7 | H7 | 30.1° | 30.0° |
| N6 | C7 | C8 | C9 | 116.4° | 120.0° |
| N6 | C7 | C8 | H7 | 123.5° | 120.0° |
| N6 | C7 | C9 | H7 | 123.4° | 120.1° |
| N6 | C7 | C8 | H81 | 180.0° | 60.0° |
| N6 | C7 | C8 | H82 | 54.7° | 180.0° |
| N6 | C7 | C8 | H83 | 54.7° | 60.0° |
| N6 | C7 | C9 | C10 | 77.4° | 120.0° |
| N6 | C7 | C9 | C20 | 97.8° | 60.0° |
| HN6 | N6 | C7 | C8 | 91.6° | 90.1° |
| HN6 | N6 | C7 | C9 | 30.1° | 29.9° |
| HN6 | N6 | C7 | H7 | 150.0° | 149.9° |
| C8 | C7 | C9 | H7 | 118.7° | 119.9° |
| C7 | C8 | H81 | H82 | 125.3° | 120.0° |
| C7 | C8 | H81 | H83 | 125.3° | 120.0° |
| C7 | C8 | H82 | H83 | 118.7° | 120.0° |
| C8 | C7 | C9 | C10 | 164.6° | 120.0° |
| C8 | C7 | C9 | C20 | 20.1° | 60.0° |
| C9 | C7 | C8 | H81 | 63.6° | 60.0° |
| C9 | C7 | C8 | H82 | 171.1° | 60.0° |
| C9 | C7 | C8 | H83 | 61.7° | 180.0° |
| C7 | C9 | C10 | C20 | 175.1° | 180.0° |
| C7 | C9 | C10 | C11 | 179.7° | 180.0° |
| C7 | C9 | C10 | H10 | 0.2° | 0.0° |
| C7 | C9 | C20 | C21 | 155.1° | 110.0° |
| C7 | C9 | C20 | H201 | 29.8° | 9.6° |
| C7 | C9 | C20 | H202 | 79.6° | 130.3° |
| H7 | C7 | C8 | H81 | 56.5° | 179.9° |
| H7 | C7 | C8 | H82 | 68.8° | 59.9° |
| H7 | C7 | C8 | H83 | 178.2° | 60.0° |
| H7 | C7 | C9 | C10 | 46.0° | 0.1° |
| H7 | C7 | C9 | C20 | 138.8° | 180.0° |
| H81 | C8 | H82 | H83 | 118.7° | 120.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 162.4° | 49.8° |
| C9 | C10 | C11 | C19 | 73.5° | 70.0° |
| C9 | C10 | C11 | H11 | 43.0° | 170.4° |
| C10 | C9 | C20 | C21 | 29.8° | 70.0° |
| C10 | C9 | C20 | H201 | 155.1° | 170.4° |
| C10 | C9 | C20 | H202 | 95.5° | 49.7° |
| C20 | C9 | C10 | C11 | 4.6° | 0.0° |
| C20 | C9 | C10 | H10 | 175.3° | 180.0° |
| C9 | C20 | C21 | H201 | 125.3° | 119.6° |
| C9 | C20 | C21 | H202 | 125.3° | 119.7° |
| C9 | C20 | H201 | H202 | 115.4° | 120.6° |
| C9 | C20 | C21 | N22 | 29.1° | 87.0° |
| C9 | C20 | C21 | H211 | 154.4° | 33.5° |
| C9 | C20 | C21 | H212 | 96.1° | 152.6° |
| C10 | C11 | C12 | C19 | 125.6° | 118.8° |
| C10 | C11 | C12 | H11 | 117.6° | 120.6° |
| C10 | C11 | C19 | H11 | 117.3° | 119.7° |
| C10 | C11 | C12 | C13 | 63.6° | 145.2° |
| C10 | C11 | C12 | H121 | 61.6° | 25.2° |
| C10 | C11 | C12 | H122 | 171.1° | 94.8° |
| C10 | C11 | C19 | N22 | 59.8° | 86.9° |
| C10 | C11 | C19 | H191 | 174.9° | 152.6° |
| C10 | C11 | C19 | H192 | 65.4° | 33.6° |
| H10 | C10 | C11 | C12 | 17.6° | 130.2° |
| H10 | C10 | C11 | C19 | 106.5° | 110.0° |
| H10 | C10 | C11 | H11 | 136.9° | 9.6° |
| C12 | C11 | C19 | H11 | 119.3° | 120.6° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 120.1° | 120.0° |
| C11 | C12 | C13 | C14 | 118.1° | 90.0° |
| C11 | C12 | C13 | C18 | 57.0° | 90.3° |
| C12 | C11 | C19 | N22 | 176.8° | 32.8° |
| C12 | C11 | C19 | H191 | 51.5° | 87.7° |
| C12 | C11 | C19 | H192 | 58.0° | 153.3° |
| C19 | C11 | C12 | C13 | 170.7° | 96.0° |
| C19 | C11 | C12 | H121 | 64.0° | 144.0° |
| C19 | C11 | C12 | H122 | 45.5° | 24.0° |
| C11 | C19 | N22 | H191 | 125.2° | 120.5° |
| C11 | C19 | N22 | H192 | 125.2° | 120.5° |
| C11 | C19 | H191 | H192 | 119.4° | 119.1° |
| C11 | C19 | N22 | C21 | 28.6° | 70.2° |
| C11 | C19 | N22 | C23 | 178.1° | 173.1° |
| H11 | C11 | C12 | C13 | 54.0° | 24.6° |
| H11 | C11 | C12 | H121 | 179.2° | 95.4° |
| H11 | C11 | C12 | H122 | 71.2° | 144.6° |
| H11 | C11 | C19 | N22 | 57.5° | 153.4° |
| H11 | C11 | C19 | H191 | 67.8° | 32.9° |
| H11 | C11 | C19 | H192 | 177.3° | 86.1° |
| C13 | C12 | H121 | H122 | 120.1° | 120.0° |
| C12 | C13 | C14 | C18 | 175.1° | 179.7° |
| C12 | C13 | C14 | C15 | 174.9° | 180.0° |
| C12 | C13 | C14 | H14 | 5.1° | 0.0° |
| C12 | C13 | C18 | C17 | 174.5° | 179.9° |
| C12 | C13 | C18 | H18 | 5.5° | 0.2° |
| H121 | C12 | C13 | C14 | 7.2° | 30.0° |
| H121 | C12 | C13 | C18 | 177.7° | 149.7° |
| H122 | C12 | C13 | C14 | 116.7° | 150.0° |
| H122 | C12 | C13 | C18 | 68.2° | 29.7° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H15 | 179.7° | 179.9° |
| C14 | C13 | C18 | C17 | 0.5° | 0.4° |
| C14 | C13 | C18 | H18 | 179.5° | 179.9° |
| C18 | C13 | C14 | C15 | 0.2° | 0.3° |
| C18 | C13 | C14 | H14 | 179.8° | 179.7° |
| C13 | C18 | C17 | C16 | 0.3° | 0.3° |
| C13 | C18 | C17 | H18 | 180.0° | 179.6° |
| C13 | C18 | C17 | H17 | 179.6° | 179.7° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.5° | 0.2° |
| C14 | C15 | C16 | H16 | 179.4° | 180.0° |
| H14 | C14 | C15 | C16 | 179.6° | 180.0° |
| H14 | C14 | C15 | H15 | 0.3° | 0.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 0.2° | 0.0° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| H15 | C15 | C16 | C17 | 179.5° | 179.9° |
| H15 | C15 | C16 | H16 | 0.5° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | H18 | 179.7° | 179.9° |
| H16 | C16 | C17 | C18 | 179.8° | 179.8° |
| H16 | C16 | C17 | H17 | 0.2° | 0.2° |
| H17 | C17 | C18 | H18 | 0.3° | 0.1° |
| N22 | C19 | H191 | H192 | 119.4° | 119.1° |
| C19 | N22 | C21 | C20 | 85.3° | 70.1° |
| C19 | N22 | C21 | C23 | 153.8° | 116.8° |
| C19 | N22 | C21 | H211 | 149.4° | 50.3° |
| C19 | N22 | C21 | H212 | 39.9° | 169.5° |
| C19 | N22 | C23 | C24 | 161.7° | 55.9° |
| C19 | N22 | C23 | C25 | 71.1° | 175.8° |
| C19 | N22 | C23 | H23 | 37.2° | 64.1° |
| H191 | C19 | N22 | C21 | 96.7° | 169.4° |
| H191 | C19 | N22 | C23 | 56.6° | 52.6° |
| H192 | C19 | N22 | C21 | 153.8° | 50.4° |
| H192 | C19 | N22 | C23 | 52.9° | 66.4° |
| C21 | C20 | H201 | H202 | 115.5° | 120.6° |
| C20 | C21 | N22 | H211 | 125.3° | 120.5° |
| C20 | C21 | N22 | H212 | 125.2° | 120.4° |
| C20 | C21 | H211 | H212 | 115.6° | 119.1° |
| C20 | C21 | N22 | C23 | 120.9° | 173.1° |
| H201 | C20 | C21 | N22 | 96.1° | 153.4° |
| H201 | C20 | C21 | H211 | 29.1° | 86.1° |
| H201 | C20 | C21 | H212 | 138.6° | 33.0° |
| H202 | C20 | C21 | N22 | 154.4° | 32.7° |
| H202 | C20 | C21 | H211 | 80.3° | 153.2° |
| H202 | C20 | C21 | H212 | 29.1° | 87.7° |
| N22 | C21 | H211 | H212 | 115.7° | 119.2° |
| C21 | N22 | C23 | C24 | 44.4° | 176.6° |
| C21 | N22 | C23 | C25 | 82.9° | 63.4° |
| C21 | N22 | C23 | H23 | 168.8° | 56.6° |
| H211 | C21 | N22 | C23 | 4.4° | 66.5° |
| H212 | C21 | N22 | C23 | 113.9° | 52.7° |
| N22 | C23 | C24 | C25 | 133.8° | 119.9° |
| N22 | C23 | C24 | H23 | 115.9° | 120.0° |
| N22 | C23 | C25 | H23 | 112.7° | 120.0° |
| N22 | C23 | C24 | H241 | 180.0° | 50.8° |
| N22 | C23 | C24 | H242 | 54.7° | 170.9° |
| N22 | C23 | C24 | H243 | 54.7° | 69.2° |
| N22 | C23 | C25 | O26 | 71.6° | 20.1° |
| N22 | C23 | C25 | N27 | 109.3° | 159.9° |
| C24 | C23 | C25 | H23 | 123.3° | 120.0° |
| C23 | C24 | H241 | H242 | 125.3° | 120.0° |
| C23 | C24 | H241 | H243 | 125.3° | 120.0° |
| C23 | C24 | H242 | H243 | 120.1° | 120.0° |
| C24 | C23 | C25 | O26 | 164.5° | 99.8° |
| C24 | C23 | C25 | N27 | 14.7° | 80.2° |
| C25 | C23 | C24 | H241 | 46.2° | 69.1° |
| C25 | C23 | C24 | H242 | 171.5° | 50.9° |
| C25 | C23 | C24 | H243 | 79.2° | 170.9° |
| C23 | C25 | O26 | N27 | 179.2° | 180.0° |
| C23 | C25 | N27 | C28 | 179.3° | 180.0° |
| C23 | C25 | N27 | HN7 | 0.7° | 0.1° |
| H23 | C23 | C24 | H241 | 64.1° | 170.8° |
| H23 | C23 | C24 | H242 | 61.2° | 69.2° |
| H23 | C23 | C24 | H243 | 170.5° | 50.8° |
| H23 | C23 | C25 | O26 | 41.2° | 140.2° |
| H23 | C23 | C25 | N27 | 138.0° | 39.8° |
| H241 | C24 | H242 | H243 | 120.2° | 119.9° |
| O26 | C25 | N27 | C28 | 0.1° | 0.0° |
| O26 | C25 | N27 | HN7 | 179.9° | 180.0° |
| C25 | N27 | C28 | HN7 | 179.9° | 179.9° |
| C25 | N27 | C28 | C29 | 170.3° | 90.0° |
| C25 | N27 | C28 | C32 | 65.9° | 150.0° |
| C25 | N27 | C28 | H28 | 51.5° | 29.9° |
| N27 | C28 | C29 | C32 | 124.2° | 120.0° |
| N27 | C28 | C29 | H28 | 118.3° | 120.0° |
| N27 | C28 | C32 | H28 | 118.1° | 120.1° |
| N27 | C28 | C29 | C30 | 159.9° | 65.0° |
| N27 | C28 | C29 | C31 | 79.8° | 175.0° |
| N27 | C28 | C29 | H29 | 37.6° | 54.9° |
| N27 | C28 | C32 | O33 | 46.0° | 27.0° |
| N27 | C28 | C32 | N34 | 135.6° | 153.0° |
| HN7 | N27 | C28 | C29 | 9.7° | 90.1° |
| HN7 | N27 | C28 | C32 | 114.0° | 29.9° |
| HN7 | N27 | C28 | H28 | 128.5° | 150.0° |
| C29 | C28 | C32 | H28 | 118.7° | 119.9° |
| C28 | C29 | C30 | C31 | 124.5° | 120.0° |
| C28 | C29 | C30 | H29 | 117.9° | 120.1° |
| C28 | C29 | C31 | H29 | 117.6° | 120.1° |
| C28 | C29 | C30 | H301 | 180.0° | 180.0° |
| C28 | C29 | C30 | H302 | 54.8° | 60.0° |
| C28 | C29 | C30 | H303 | 54.8° | 60.0° |
| C28 | C29 | C31 | H311 | 180.0° | 56.4° |
| C28 | C29 | C31 | H312 | 54.7° | 63.5° |
| C28 | C29 | C31 | H313 | 54.7° | 176.5° |
| C29 | C28 | C32 | O33 | 77.2° | 93.0° |
| C29 | C28 | C32 | N34 | 101.2° | 87.0° |
| C32 | C28 | C29 | C30 | 75.9° | 55.0° |
| C32 | C28 | C29 | C31 | 44.4° | 65.0° |
| C32 | C28 | C29 | H29 | 161.8° | 175.0° |
| C28 | C32 | O33 | N34 | 178.3° | 180.0° |
| C28 | C32 | N34 | C35 | 177.7° | 175.3° |
| C28 | C32 | N34 | HN4 | 2.3° | 4.7° |
| H28 | C28 | C29 | C30 | 41.7° | 175.0° |
| H28 | C28 | C29 | C31 | 161.9° | 55.0° |
| H28 | C28 | C29 | H29 | 80.7° | 65.0° |
| H28 | C28 | C32 | O33 | 164.1° | 147.1° |
| H28 | C28 | C32 | N34 | 17.5° | 32.9° |
| C30 | C29 | C31 | H29 | 122.3° | 119.9° |
| C29 | C30 | H301 | H302 | 125.2° | 120.0° |
| C29 | C30 | H301 | H303 | 125.2° | 120.0° |
| C29 | C30 | H302 | H303 | 118.8° | 120.0° |
| C30 | C29 | C31 | H311 | 60.0° | 63.6° |
| C30 | C29 | C31 | H312 | 174.8° | 176.5° |
| C30 | C29 | C31 | H313 | 65.3° | 56.5° |
| C31 | C29 | C30 | H301 | 55.5° | 60.0° |
| C31 | C29 | C30 | H302 | 69.7° | 180.0° |
| C31 | C29 | C30 | H303 | 179.3° | 60.0° |
| C29 | C31 | H311 | H312 | 125.3° | 119.9° |
| C29 | C31 | H311 | H313 | 125.3° | 120.1° |
| C29 | C31 | H312 | H313 | 116.1° | 120.0° |
| H29 | C29 | C30 | H301 | 62.1° | 59.9° |
| H29 | C29 | C30 | H302 | 172.6° | 60.0° |
| H29 | C29 | C30 | H303 | 63.1° | 180.0° |
| H29 | C29 | C31 | H311 | 62.4° | 176.5° |
| H29 | C29 | C31 | H312 | 62.9° | 56.6° |
| H29 | C29 | C31 | H313 | 172.3° | 63.4° |
| H301 | C30 | H302 | H303 | 118.9° | 120.0° |
| H311 | C31 | H312 | H313 | 116.0° | 120.0° |
| O33 | C32 | N34 | C35 | 0.6° | 4.7° |
| O33 | C32 | N34 | HN4 | 179.3° | 175.3° |
| C32 | N34 | C35 | HN4 | 180.0° | 179.9° |
| C32 | N34 | C35 | C37 | 89.5° | 90.0° |
| C32 | N34 | C35 | C40 | 156.5° | 150.0° |
| C32 | N34 | C35 | H35 | 28.1° | 30.0° |
| N34 | C35 | C37 | C40 | 110.2° | 120.0° |
| N34 | C35 | C37 | H35 | 121.0° | 120.0° |
| N34 | C35 | C40 | H35 | 119.6° | 120.0° |
| N34 | C35 | C37 | C38 | 21.8° | 60.0° |
| N34 | C35 | C37 | C39 | 135.5° | 180.0° |
| N34 | C35 | C37 | H37 | 97.4° | 60.0° |
| N34 | C35 | C40 | O36 | 52.5° | 0.1° |
| N34 | C35 | C40 | O41 | 104.5° | 180.0° |
| HN4 | N34 | C35 | C37 | 90.4° | 90.0° |
| HN4 | N34 | C35 | C40 | 23.6° | 29.9° |
| HN4 | N34 | C35 | H35 | 151.9° | 150.0° |
| C37 | C35 | C40 | H35 | 116.6° | 120.0° |
| C35 | C37 | C38 | C39 | 113.3° | 120.0° |
| C35 | C37 | C38 | H37 | 119.5° | 120.0° |
| C35 | C37 | C39 | H37 | 118.7° | 120.0° |
| C35 | C37 | C38 | H381 | 180.0° | 180.0° |
| C35 | C37 | C38 | H382 | 54.8° | 60.0° |
| C35 | C37 | C38 | H383 | 54.7° | 60.0° |
| C35 | C37 | C39 | H391 | 179.9° | 60.0° |
| C35 | C37 | C39 | H392 | 54.7° | 60.0° |
| C35 | C37 | C39 | H393 | 54.8° | 180.0° |
| C37 | C35 | C40 | O36 | 71.3° | 120.0° |
| C37 | C35 | C40 | O41 | 131.7° | 60.1° |
| C40 | C35 | C37 | C38 | 132.0° | 60.0° |
| C40 | C35 | C37 | C39 | 114.3° | 60.0° |
| C40 | C35 | C37 | H37 | 12.8° | 180.0° |
| C35 | C40 | O36 | O41 | 158.1° | 179.9° |
| C35 | C40 | O41 | C42 | 46.3° | 180.0° |
| H35 | C35 | C37 | C38 | 99.2° | 180.0° |
| H35 | C35 | C37 | C39 | 14.5° | 60.0° |
| H35 | C35 | C37 | H37 | 141.6° | 60.0° |
| H35 | C35 | C40 | O36 | 172.0° | 120.0° |
| H35 | C35 | C40 | O41 | 15.1° | 59.9° |
| C38 | C37 | C39 | H37 | 118.4° | 120.0° |
| C37 | C38 | H381 | H382 | 125.2° | 120.0° |
| C37 | C38 | H381 | H383 | 125.3° | 120.0° |
| C37 | C38 | H382 | H383 | 115.2° | 120.0° |
| C38 | C37 | C39 | H391 | 57.0° | 60.0° |
| C38 | C37 | C39 | H392 | 177.7° | 180.0° |
| C38 | C37 | C39 | H393 | 68.2° | 60.0° |
| C39 | C37 | C38 | H381 | 66.6° | 60.0° |
| C39 | C37 | C38 | H382 | 58.5° | 180.0° |
| C39 | C37 | C38 | H383 | 168.0° | 60.0° |
| C37 | C39 | H391 | H392 | 125.4° | 120.0° |
| C37 | C39 | H391 | H393 | 125.3° | 120.0° |
| C37 | C39 | H392 | H393 | 120.4° | 120.0° |
| H37 | C37 | C38 | H381 | 60.5° | 60.0° |
| H37 | C37 | C38 | H382 | 174.3° | 60.0° |
| H37 | C37 | C38 | H383 | 64.8° | 180.0° |
| H37 | C37 | C39 | H391 | 61.4° | 180.0° |
| H37 | C37 | C39 | H392 | 64.0° | 60.0° |
| H37 | C37 | C39 | H393 | 173.4° | 60.0° |
| H381 | C38 | H382 | H383 | 115.1° | 120.0° |
| H391 | C39 | H392 | H393 | 120.3° | 120.0° |
| O36 | C40 | O41 | C42 | 111.4° | 0.0° |
| C40 | O41 | C42 | H421 | 180.0° | 180.0° |
| C40 | O41 | C42 | H422 | 54.7° | 60.0° |
| C40 | O41 | C42 | H423 | 54.7° | 60.0° |
| O41 | C42 | H421 | H422 | 125.3° | 120.0° |
| O41 | C42 | H421 | H423 | 125.2° | 120.0° |
| O41 | C42 | H422 | H423 | 115.1° | 120.1° |
| H421 | C42 | H422 | H423 | 115.0° | 119.9° |
