99B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.46Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.57Å | |
| C1 | C4 | sing | 1.53Å | 1.53Å | |
| N1 | C5 | sing | 1.39Å | 1.37Å | |
| O1 | C8 | doub | 1.21Å | 1.22Å | |
| C2 | C3 | sing | 1.53Å | 1.55Å | |
| N2 | C8 | sing | 1.35Å | 1.35Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| O2 | C19 | doub | 1.21Å | 1.24Å | |
| N3 | C11 | sing | 1.49Å | 1.46Å | |
| N3 | C12 | sing | 1.49Å | 1.49Å | |
| N3 | C16 | sing | 1.38Å | 1.36Å | |
| O3 | C26 | doub | 1.22Å | 1.24Å | |
| N4 | C16 | doub | 1.33Å | 1.32Å | Aromatic |
| N4 | C17 | sing | 1.32Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C26 | sing | 1.35Å | 1.36Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.56Å | |
| C7 | C28 | doub | 1.40Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C9 | C13 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.54Å | 1.59Å | |
| C11 | C15 | sing | 1.55Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.57Å | |
| C12 | C14 | sing | 1.55Å | 1.60Å | |
| C14 | C15 | sing | 1.54Å | 1.58Å | |
| C16 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.47Å | 1.53Å | |
| C18 | C24 | sing | 1.41Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.55Å | |
| C20 | C21 | sing | 1.53Å | 1.51Å | |
| C20 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.55Å | |
| C25 | C27 | doub | 1.40Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C4 | H4B | sing | 1.09Å | 1.10Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| N5 | HN5A | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 111.5° | 109.5° |
| N1 | C1 | C4 | 111.0° | 109.5° |
| C1 | N1 | C5 | 123.2° | 120.0° |
| N1 | C1 | H1 | 109.2° | 109.5° |
| C1 | N1 | HN1 | 106.0° | 120.0° |
| C2 | C1 | C4 | 108.0° | 109.5° |
| C1 | C2 | C3 | 110.9° | 109.5° |
| C2 | C1 | H1 | 108.3° | 109.5° |
| C1 | C2 | H2 | 109.1° | 109.4° |
| C1 | C2 | H2A | 109.1° | 109.4° |
| C4 | C1 | H1 | 108.8° | 109.5° |
| C1 | C4 | H4 | 109.5° | 109.5° |
| C1 | C4 | H4A | 109.5° | 109.5° |
| C1 | C4 | H4B | 109.5° | 109.5° |
| N1 | C5 | C6 | 120.0° | 120.1° |
| N1 | C5 | C25 | 121.8° | 120.1° |
| C5 | N1 | HN1 | 105.9° | 120.0° |
| O1 | C8 | N2 | 121.7° | 120.0° |
| O1 | C8 | C7 | 127.0° | 120.0° |
| C3 | C2 | H2 | 109.1° | 109.5° |
| C3 | C2 | H2A | 109.1° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H3A | 109.5° | 109.5° |
| C2 | C3 | H3B | 109.4° | 109.4° |
| C8 | N2 | C9 | 129.5° | 120.0° |
| N2 | C8 | C7 | 110.6° | 120.0° |
| C8 | N2 | HN2 | 115.3° | 119.9° |
| N2 | C9 | C10 | 118.9° | 109.4° |
| N2 | C9 | C13 | 119.8° | 109.4° |
| C9 | N2 | HN2 | 115.3° | 120.1° |
| N2 | C9 | H9 | 93.2° | 109.4° |
| O2 | C19 | C18 | 119.1° | 120.0° |
| O2 | C19 | C20 | 123.6° | 120.0° |
| C11 | N3 | C12 | 108.7° | 103.5° |
| C11 | N3 | C16 | 121.3° | 111.0° |
| N3 | C11 | C10 | 102.5° | 107.2° |
| N3 | C11 | C15 | 103.1° | 104.2° |
| N3 | C11 | H11 | 113.0° | 112.3° |
| C12 | N3 | C16 | 127.7° | 111.0° |
| N3 | C12 | C13 | 107.4° | 107.3° |
| N3 | C12 | C14 | 100.5° | 104.2° |
| N3 | C12 | H12 | 112.9° | 112.2° |
| N3 | C16 | N4 | 117.8° | 119.5° |
| N3 | C16 | C23 | 122.1° | 119.4° |
| O3 | C26 | N5 | 127.8° | 120.0° |
| O3 | C26 | C25 | 115.1° | 120.0° |
| C16 | N4 | C17 | 123.5° | 121.6° |
| N4 | C16 | C23 | 119.5° | 121.0° |
| N4 | C17 | C18 | 119.4° | 120.5° |
| N4 | C17 | H17 | 120.3° | 119.7° |
| C6 | C5 | C25 | 117.9° | 119.8° |
| C5 | C6 | C7 | 121.0° | 119.9° |
| C5 | C6 | H6 | 119.5° | 120.0° |
| C5 | C25 | C26 | 119.0° | 120.1° |
| C5 | C25 | C27 | 121.9° | 119.8° |
| N5 | C26 | C25 | 116.7° | 120.0° |
| C26 | N5 | HN5 | 120.0° | 120.0° |
| C26 | N5 | HN5A | 120.0° | 120.0° |
| C6 | C7 | C8 | 116.6° | 119.9° |
| C6 | C7 | C28 | 120.2° | 120.2° |
| C7 | C6 | H6 | 119.5° | 120.1° |
| C8 | C7 | C28 | 123.2° | 119.9° |
| C7 | C28 | C27 | 118.7° | 120.2° |
| C7 | C28 | C29 | 120.1° | 119.9° |
| C10 | C9 | C13 | 120.4° | 109.8° |
| C9 | C10 | C11 | 101.6° | 108.9° |
| C10 | C9 | H9 | 93.0° | 109.4° |
| C9 | C10 | H10 | 111.4° | 109.6° |
| C9 | C10 | H10A | 111.4° | 109.5° |
| C9 | C13 | C12 | 98.7° | 108.9° |
| C13 | C9 | H9 | 93.0° | 109.4° |
| C9 | C13 | H13 | 112.1° | 109.5° |
| C9 | C13 | H13A | 112.1° | 109.6° |
| C10 | C11 | C15 | 114.5° | 107.8° |
| C11 | C10 | H10 | 111.4° | 109.6° |
| C11 | C10 | H10A | 111.4° | 109.5° |
| C10 | C11 | H11 | 111.1° | 112.1° |
| C11 | C15 | C14 | 105.5° | 104.8° |
| C15 | C11 | H11 | 112.0° | 112.7° |
| C11 | C15 | H15 | 110.5° | 110.4° |
| C11 | C15 | H15A | 110.5° | 110.3° |
| C13 | C12 | C14 | 112.4° | 107.8° |
| C13 | C12 | H12 | 111.7° | 112.2° |
| C12 | C13 | H13 | 112.1° | 109.6° |
| C12 | C13 | H13A | 112.1° | 109.6° |
| C12 | C14 | C15 | 105.2° | 104.9° |
| C14 | C12 | H12 | 111.4° | 112.7° |
| C12 | C14 | H14 | 110.6° | 110.4° |
| C12 | C14 | H14A | 110.5° | 110.4° |
| C15 | C14 | H14 | 110.5° | 110.4° |
| C15 | C14 | H14A | 110.5° | 110.4° |
| C14 | C15 | H15 | 110.4° | 110.4° |
| C14 | C15 | H15A | 110.4° | 110.4° |
| C16 | C23 | C24 | 117.9° | 119.4° |
| C16 | C23 | H23 | 121.1° | 120.4° |
| C17 | C18 | C19 | 117.8° | 120.5° |
| C17 | C18 | C24 | 118.5° | 119.0° |
| C18 | C17 | H17 | 120.3° | 119.8° |
| C19 | C18 | C24 | 123.6° | 120.5° |
| C18 | C19 | C20 | 117.3° | 120.0° |
| C18 | C24 | C23 | 120.9° | 118.5° |
| C18 | C24 | H24 | 119.6° | 120.7° |
| C19 | C20 | C21 | 117.7° | 117.5° |
| C19 | C20 | C22 | 113.3° | 117.5° |
| C19 | C20 | H20 | 117.2° | 115.5° |
| C21 | C20 | C22 | 60.5° | 60.0° |
| C20 | C21 | C22 | 60.1° | 60.0° |
| C21 | C20 | H20 | 118.0° | 117.6° |
| C20 | C21 | H21 | 120.0° | 117.5° |
| C20 | C21 | H21A | 120.0° | 117.5° |
| C20 | C22 | C21 | 59.4° | 60.0° |
| C22 | C20 | H20 | 117.8° | 117.5° |
| C20 | C22 | H22 | 120.1° | 117.5° |
| C20 | C22 | H22A | 120.1° | 117.5° |
| C22 | C21 | H21 | 120.0° | 117.5° |
| C22 | C21 | H21A | 120.0° | 117.5° |
| C21 | C22 | H22 | 120.1° | 117.5° |
| C21 | C22 | H22A | 120.1° | 117.5° |
| C24 | C23 | H23 | 121.1° | 120.3° |
| C23 | C24 | H24 | 119.6° | 120.8° |
| C26 | C25 | C27 | 118.5° | 120.1° |
| C25 | C27 | C28 | 119.7° | 120.1° |
| C25 | C27 | H27 | 120.1° | 120.0° |
| C27 | C28 | C29 | 121.0° | 119.9° |
| C28 | C27 | H27 | 120.2° | 120.0° |
| C28 | C29 | H29 | 109.5° | 109.5° |
| C28 | C29 | H29A | 109.5° | 109.5° |
| C28 | C29 | H29B | 109.5° | 109.4° |
| H2 | C2 | H2A | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.5° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.4° | 109.5° |
| HN5 | N5 | HN5A | 120.0° | 120.0° |
| H10 | C10 | H10A | 109.5° | 109.7° |
| H13 | C13 | H13A | 109.5° | 109.7° |
| H14 | C14 | H14A | 109.5° | 110.4° |
| H15 | C15 | H15A | 109.5° | 110.4° |
| H21 | C21 | H21A | 109.5° | 115.5° |
| H22 | C22 | H22A | 109.5° | 115.6° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | C4 | 122.3° | 120.0° |
| N1 | C1 | C2 | H1 | 120.1° | 120.0° |
| N1 | C1 | C4 | H1 | 120.1° | 120.0° |
| C1 | N1 | C5 | HN1 | 121.9° | 179.9° |
| N1 | C1 | C2 | C3 | 56.4° | 65.0° |
| C1 | N1 | C5 | C6 | 23.8° | 5.9° |
| C1 | N1 | C5 | C25 | 161.5° | 173.9° |
| N1 | C1 | C2 | H2 | 176.6° | 55.0° |
| N1 | C1 | C2 | H2A | 63.8° | 175.0° |
| N1 | C1 | C4 | H4 | 180.0° | 60.0° |
| N1 | C1 | C4 | H4A | 60.0° | 60.0° |
| N1 | C1 | C4 | H4B | 60.0° | 180.0° |
| C2 | C1 | C4 | H1 | 117.3° | 120.0° |
| C2 | C1 | N1 | C5 | 66.4° | 155.0° |
| C1 | C2 | C3 | H2 | 120.2° | 119.9° |
| C1 | C2 | C3 | H2A | 120.2° | 120.0° |
| C2 | C1 | N1 | HN1 | 171.7° | 25.0° |
| C1 | C2 | H2 | H2A | 119.4° | 120.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3A | 60.0° | 60.0° |
| C1 | C2 | C3 | H3B | 60.0° | 180.0° |
| C2 | C1 | C4 | H4 | 57.4° | 60.0° |
| C2 | C1 | C4 | H4A | 62.6° | 180.0° |
| C2 | C1 | C4 | H4B | 177.4° | 60.0° |
| C4 | C1 | N1 | C5 | 173.0° | 85.0° |
| C4 | C1 | C2 | C3 | 65.9° | 175.0° |
| C4 | C1 | N1 | HN1 | 51.2° | 95.0° |
| C4 | C1 | C2 | H2 | 54.3° | 65.0° |
| C4 | C1 | C2 | H2A | 173.9° | 55.0° |
| C1 | C4 | H4 | H4A | 120.0° | 120.0° |
| C1 | C4 | H4 | H4B | 120.0° | 120.0° |
| C1 | C4 | H4A | H4B | 120.0° | 120.0° |
| N1 | C5 | C6 | C25 | 174.8° | 179.8° |
| N1 | C5 | C6 | C7 | 179.9° | 180.0° |
| N1 | C5 | C25 | C26 | 7.6° | 0.0° |
| N1 | C5 | C25 | C27 | 178.6° | 180.0° |
| C5 | N1 | C1 | H1 | 53.1° | 35.0° |
| N1 | C5 | C6 | H6 | 0.1° | 0.0° |
| O1 | C8 | N2 | C7 | 170.8° | 180.0° |
| O1 | C8 | N2 | C9 | 11.5° | 0.0° |
| O1 | C8 | C7 | C6 | 52.6° | 173.3° |
| O1 | C8 | C7 | C28 | 126.9° | 6.7° |
| O1 | C8 | N2 | HN2 | 168.5° | 180.0° |
| C3 | C2 | C1 | H1 | 176.5° | 55.0° |
| C3 | C2 | H2 | H2A | 119.3° | 120.1° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 120.0° |
| C8 | N2 | C9 | HN2 | 180.0° | 180.0° |
| N2 | C8 | C7 | C6 | 117.6° | 6.7° |
| N2 | C8 | C7 | C28 | 62.9° | 173.3° |
| C8 | N2 | C9 | C10 | 154.0° | 119.9° |
| C8 | N2 | C9 | C13 | 36.6° | 119.8° |
| C8 | N2 | C9 | H9 | 58.8° | 0.0° |
| C9 | N2 | C8 | C7 | 177.6° | 180.0° |
| N2 | C9 | C10 | C13 | 169.3° | 120.1° |
| N2 | C9 | C10 | H9 | 95.4° | 119.8° |
| N2 | C9 | C13 | H9 | 95.5° | 119.8° |
| N2 | C9 | C10 | C11 | 107.4° | 66.1° |
| N2 | C9 | C13 | C12 | 110.2° | 66.1° |
| N2 | C9 | C10 | H10 | 11.3° | 53.7° |
| N2 | C9 | C10 | H10A | 133.9° | 174.1° |
| N2 | C9 | C13 | H13 | 131.6° | 174.1° |
| N2 | C9 | C13 | H13A | 8.0° | 53.7° |
| O2 | C19 | C18 | C17 | 0.2° | 180.0° |
| O2 | C19 | C18 | C20 | 179.3° | 180.0° |
| O2 | C19 | C18 | C24 | 177.5° | 0.0° |
| O2 | C19 | C20 | C21 | 11.1° | 30.0° |
| O2 | C19 | C20 | C22 | 56.5° | 38.7° |
| O2 | C19 | C20 | H20 | 161.1° | 175.7° |
| C11 | N3 | C12 | C16 | 162.7° | 119.1° |
| C11 | N3 | C16 | N4 | 162.5° | 29.1° |
| N3 | C11 | C10 | C9 | 61.7° | 64.0° |
| N3 | C11 | C10 | C15 | 110.8° | 111.7° |
| N3 | C11 | C10 | H11 | 121.1° | 123.7° |
| N3 | C11 | C15 | H11 | 121.8° | 122.0° |
| C11 | N3 | C12 | C13 | 78.4° | 72.5° |
| C11 | N3 | C12 | C14 | 39.3° | 41.6° |
| N3 | C11 | C15 | C14 | 26.2° | 25.1° |
| C11 | N3 | C16 | C23 | 9.5° | 150.9° |
| N3 | C11 | C10 | H10 | 179.6° | 176.1° |
| N3 | C11 | C10 | H10A | 57.0° | 55.7° |
| C11 | N3 | C12 | H12 | 158.1° | 163.8° |
| N3 | C11 | C15 | H15 | 145.6° | 144.0° |
| N3 | C11 | C15 | H15A | 93.1° | 93.7° |
| C12 | N3 | C16 | N4 | 1.8° | 143.6° |
| N3 | C12 | C13 | C9 | 59.5° | 64.0° |
| C12 | N3 | C11 | C10 | 76.7° | 72.5° |
| C12 | N3 | C11 | C15 | 42.4° | 41.6° |
| N3 | C12 | C13 | C14 | 109.6° | 111.7° |
| N3 | C12 | C13 | H12 | 124.3° | 123.7° |
| N3 | C12 | C14 | H12 | 119.9° | 121.9° |
| N3 | C12 | C14 | C15 | 20.4° | 25.2° |
| C12 | N3 | C16 | C23 | 170.2° | 36.4° |
| C12 | N3 | C11 | H11 | 163.6° | 163.9° |
| N3 | C12 | C13 | H13 | 58.7° | 55.7° |
| N3 | C12 | C13 | H13A | 177.7° | 176.1° |
| N3 | C12 | C14 | H14 | 98.9° | 93.7° |
| N3 | C12 | C14 | H14A | 139.7° | 144.0° |
| N3 | C16 | N4 | C23 | 172.2° | 180.0° |
| N3 | C16 | N4 | C17 | 179.6° | 180.0° |
| C16 | N3 | C11 | C10 | 87.3° | 46.6° |
| C16 | N3 | C11 | C15 | 153.6° | 160.7° |
| C16 | N3 | C12 | C13 | 84.3° | 46.6° |
| C16 | N3 | C12 | C14 | 158.0° | 160.7° |
| N3 | C16 | C23 | C24 | 176.4° | 179.9° |
| C16 | N3 | C11 | H11 | 32.5° | 77.0° |
| C16 | N3 | C12 | H12 | 39.3° | 77.1° |
| N3 | C16 | C23 | H23 | 3.6° | 0.0° |
| O3 | C26 | C25 | C5 | 41.0° | 5.8° |
| O3 | C26 | N5 | C25 | 172.2° | 180.0° |
| O3 | C26 | C25 | C27 | 130.4° | 174.1° |
| O3 | C26 | N5 | HN5 | 0.0° | 0.0° |
| O3 | C26 | N5 | HN5A | 180.0° | 180.0° |
| C16 | N4 | C17 | C18 | 7.0° | 0.0° |
| N4 | C16 | C23 | C24 | 4.5° | 0.0° |
| C16 | N4 | C17 | H17 | 173.0° | 180.0° |
| N4 | C16 | C23 | H23 | 175.5° | 180.0° |
| C17 | N4 | C16 | C23 | 7.4° | 0.0° |
| N4 | C17 | C18 | H17 | 180.0° | 180.0° |
| N4 | C17 | C18 | C19 | 178.4° | 180.0° |
| N4 | C17 | C18 | C24 | 3.8° | 0.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 177.1° | 180.0° |
| C5 | C6 | C7 | C28 | 3.4° | 0.1° |
| C6 | C5 | C25 | C26 | 177.7° | 179.8° |
| C6 | C5 | C25 | C27 | 6.6° | 0.2° |
| C6 | C5 | N1 | HN1 | 98.1° | 174.2° |
| C5 | C25 | C26 | N5 | 145.8° | 174.1° |
| C25 | C5 | C6 | C7 | 5.1° | 0.2° |
| C5 | C25 | C26 | C27 | 171.4° | 180.0° |
| C5 | C25 | C27 | C28 | 6.3° | 0.0° |
| C25 | C5 | N1 | HN1 | 76.6° | 6.0° |
| C25 | C5 | C6 | H6 | 174.9° | 179.8° |
| C5 | C25 | C27 | H27 | 173.7° | 180.0° |
| N5 | C26 | C25 | C27 | 42.8° | 5.9° |
| C26 | N5 | HN5 | HN5A | 180.0° | 180.0° |
| C6 | C7 | C8 | C28 | 179.5° | 180.0° |
| C6 | C7 | C28 | C27 | 2.9° | 0.3° |
| C6 | C7 | C28 | C29 | 179.3° | 180.0° |
| C8 | C7 | C28 | C27 | 177.6° | 179.7° |
| C8 | C7 | C28 | C29 | 1.2° | 0.0° |
| C7 | C8 | N2 | HN2 | 2.3° | 0.0° |
| C8 | C7 | C6 | H6 | 2.9° | 0.0° |
| C7 | C28 | C27 | C25 | 4.3° | 0.3° |
| C7 | C28 | C27 | C29 | 176.3° | 179.7° |
| C28 | C7 | C6 | H6 | 176.6° | 179.9° |
| C7 | C28 | C27 | H27 | 175.7° | 179.7° |
| C7 | C28 | C29 | H29 | 91.8° | 82.8° |
| C7 | C28 | C29 | H29A | 148.2° | 157.1° |
| C7 | C28 | C29 | H29B | 28.2° | 37.2° |
| C10 | C9 | C13 | H9 | 95.3° | 120.1° |
| C9 | C10 | C11 | H10 | 118.7° | 119.9° |
| C9 | C10 | C11 | H10A | 118.7° | 119.8° |
| C9 | C10 | C11 | C15 | 49.2° | 47.7° |
| C10 | C9 | C13 | C12 | 59.1° | 54.0° |
| C10 | C9 | N2 | HN2 | 26.0° | 60.1° |
| C9 | C10 | H10 | H10A | 123.7° | 120.3° |
| C9 | C10 | C11 | H11 | 177.3° | 172.3° |
| C10 | C9 | C13 | H13 | 59.2° | 65.8° |
| C10 | C9 | C13 | H13A | 177.3° | 173.8° |
| C13 | C9 | C10 | C11 | 61.9° | 54.0° |
| C9 | C13 | C12 | H13 | 118.2° | 119.8° |
| C9 | C13 | C12 | H13A | 118.2° | 119.8° |
| C9 | C13 | C12 | C14 | 50.1° | 47.6° |
| C13 | C9 | N2 | HN2 | 143.4° | 60.2° |
| C13 | C9 | C10 | H10 | 179.4° | 173.8° |
| C13 | C9 | C10 | H10A | 56.8° | 65.8° |
| C9 | C13 | C12 | H12 | 176.1° | 172.3° |
| C9 | C13 | H13 | H13A | 125.0° | 120.3° |
| C10 | C11 | C15 | H11 | 127.7° | 124.2° |
| C10 | C11 | C15 | C14 | 84.3° | 88.6° |
| C11 | C10 | C9 | H9 | 157.2° | 174.0° |
| C11 | C10 | H10 | H10A | 123.6° | 120.3° |
| C10 | C11 | C15 | H15 | 35.1° | 30.3° |
| C10 | C11 | C15 | H15A | 156.3° | 152.6° |
| C11 | C15 | C14 | C12 | 3.1° | 0.0° |
| C11 | C15 | C14 | H15 | 119.4° | 118.8° |
| C11 | C15 | C14 | H15A | 119.4° | 118.8° |
| C15 | C11 | C10 | H10 | 69.6° | 72.2° |
| C15 | C11 | C10 | H10A | 167.9° | 167.4° |
| C11 | C15 | C14 | H14 | 122.4° | 118.8° |
| C11 | C15 | C14 | H14A | 116.2° | 118.9° |
| C11 | C15 | H15 | H15A | 121.9° | 122.2° |
| C13 | C12 | C14 | H12 | 126.2° | 124.3° |
| C13 | C12 | C14 | C15 | 93.5° | 88.6° |
| C12 | C13 | C9 | H9 | 154.4° | 174.1° |
| C12 | C13 | H13 | H13A | 125.0° | 120.3° |
| C13 | C12 | C14 | H14 | 147.3° | 152.6° |
| C13 | C12 | C14 | H14A | 25.8° | 30.3° |
| C12 | C14 | C15 | H14 | 119.3° | 118.9° |
| C12 | C14 | C15 | H14A | 119.3° | 118.9° |
| C14 | C12 | C13 | H13 | 168.3° | 167.4° |
| C14 | C12 | C13 | H13A | 68.1° | 72.2° |
| C12 | C14 | H14 | H14A | 122.0° | 122.3° |
| C12 | C14 | C15 | H15 | 122.5° | 118.8° |
| C12 | C14 | C15 | H15A | 116.3° | 118.8° |
| C14 | C15 | C11 | H11 | 148.0° | 147.2° |
| C15 | C14 | C12 | H12 | 140.3° | 147.1° |
| C15 | C14 | H14 | H14A | 122.0° | 122.3° |
| C14 | C15 | H15 | H15A | 121.8° | 122.4° |
| C16 | C23 | C24 | C18 | 1.7° | 0.0° |
| C16 | C23 | C24 | H23 | 180.0° | 180.0° |
| C16 | C23 | C24 | H24 | 178.3° | 180.0° |
| C17 | C18 | C19 | C24 | 177.7° | 180.0° |
| C17 | C18 | C19 | C20 | 179.1° | 0.0° |
| C17 | C18 | C24 | C23 | 1.3° | 0.0° |
| C17 | C18 | C24 | H24 | 178.6° | 180.0° |
| C18 | C19 | C20 | C21 | 169.6° | 150.0° |
| C18 | C19 | C20 | C22 | 122.8° | 141.3° |
| C19 | C18 | C24 | C23 | 179.0° | 180.0° |
| C19 | C18 | C17 | H17 | 1.6° | 0.0° |
| C18 | C19 | C20 | H20 | 19.6° | 4.3° |
| C19 | C18 | C24 | H24 | 1.0° | 0.0° |
| C24 | C18 | C19 | C20 | 3.2° | 180.0° |
| C18 | C24 | C23 | H24 | 180.0° | 180.0° |
| C24 | C18 | C17 | H17 | 176.2° | 180.0° |
| C18 | C24 | C23 | H23 | 178.3° | 180.0° |
| C19 | C20 | C21 | C22 | 102.4° | 107.5° |
| C19 | C20 | C21 | H20 | 149.8° | 145.1° |
| C19 | C20 | C22 | H20 | 142.1° | 144.9° |
| C19 | C20 | C21 | H21 | 7.1° | 0.1° |
| C19 | C20 | C21 | H21A | 148.0° | 145.0° |
| C19 | C20 | C22 | H22 | 141.0° | 145.0° |
| C19 | C20 | C22 | H22A | 0.4° | 0.1° |
| C21 | C20 | C22 | H20 | 108.1° | 107.6° |
| C20 | C21 | C22 | H21 | 109.5° | 107.5° |
| C20 | C21 | C22 | H21A | 109.5° | 107.4° |
| C20 | C21 | H21 | H21A | 144.7° | 145.6° |
| C21 | C20 | C22 | H22 | 109.3° | 107.5° |
| C21 | C20 | C22 | H22A | 109.3° | 107.4° |
| C20 | C22 | H22 | H22A | 145.1° | 145.8° |
| C22 | C21 | H21 | H21A | 144.7° | 145.7° |
| C21 | C22 | H22 | H22A | 145.0° | 145.6° |
| C26 | C25 | C27 | C28 | 177.5° | 179.9° |
| C25 | C26 | N5 | HN5 | 172.2° | 180.0° |
| C25 | C26 | N5 | HN5A | 7.8° | 0.0° |
| C26 | C25 | C27 | H27 | 2.6° | 0.0° |
| C25 | C27 | C28 | H27 | 180.0° | 180.0° |
| C25 | C27 | C28 | C29 | 179.3° | 180.0° |
| C27 | C28 | C29 | H29 | 91.9° | 96.9° |
| C27 | C28 | C29 | H29A | 28.1° | 23.2° |
| C27 | C28 | C29 | H29B | 148.1° | 143.2° |
| C29 | C28 | C27 | H27 | 0.7° | 0.1° |
| C28 | C29 | H29 | H29A | 120.0° | 120.0° |
| C28 | C29 | H29 | H29B | 120.0° | 119.9° |
| C28 | C29 | H29A | H29B | 120.0° | 120.0° |
| H1 | C1 | N1 | HN1 | 68.7° | 145.0° |
| H1 | C1 | C2 | H2 | 63.3° | 175.0° |
| H1 | C1 | C2 | H2A | 56.3° | 65.0° |
| H1 | C1 | C4 | H4 | 59.9° | 180.0° |
| H1 | C1 | C4 | H4A | 179.9° | 60.0° |
| H1 | C1 | C4 | H4B | 60.1° | 60.0° |
| H2 | C2 | C3 | H3 | 59.8° | 179.9° |
| H2 | C2 | C3 | H3A | 179.8° | 59.9° |
| H2 | C2 | C3 | H3B | 60.2° | 60.1° |
| H2A | C2 | C3 | H3 | 59.8° | 59.9° |
| H2A | C2 | C3 | H3A | 60.2° | 180.0° |
| H2A | C2 | C3 | H3B | 179.8° | 60.1° |
| HN2 | N2 | C9 | H9 | 121.2° | 180.0° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| H9 | C9 | C10 | H10 | 84.1° | 66.1° |
| H9 | C9 | C10 | H10A | 38.5° | 54.3° |
| H9 | C9 | C13 | H13 | 36.2° | 54.3° |
| H9 | C9 | C13 | H13A | 87.4° | 66.1° |
| H10 | C10 | C11 | H11 | 58.5° | 52.4° |
| H10A | C10 | C11 | H11 | 64.0° | 67.9° |
| H11 | C11 | C15 | H15 | 92.6° | 93.9° |
| H11 | C11 | C15 | H15A | 28.7° | 28.4° |
| H12 | C12 | C13 | H13 | 65.6° | 68.0° |
| H12 | C12 | C13 | H13A | 57.9° | 52.4° |
| H12 | C12 | C14 | H14 | 21.0° | 28.3° |
| H12 | C12 | C14 | H14A | 100.4° | 94.0° |
| H14 | C14 | C15 | H15 | 118.2° | 122.3° |
| H14 | C14 | C15 | H15A | 3.1° | 0.1° |
| H14A | C14 | C15 | H15 | 3.2° | 0.0° |
| H14A | C14 | C15 | H15A | 124.4° | 122.4° |
| H20 | C20 | C21 | H21 | 142.7° | 145.0° |
| H20 | C20 | C21 | H21A | 1.7° | 0.0° |
| H20 | C20 | C22 | H22 | 1.1° | 0.1° |
| H20 | C20 | C22 | H22A | 142.5° | 145.0° |
| H21 | C21 | C22 | H22 | 141.2° | 145.0° |
| H21 | C21 | C22 | H22A | 0.2° | 0.0° |
| H21A | C21 | C22 | H22 | 0.2° | 0.0° |
| H21A | C21 | C22 | H22A | 141.2° | 145.0° |
| H23 | C23 | C24 | H24 | 1.7° | 0.0° |
| H29 | C29 | H29A | H29B | 120.0° | 120.0° |
