H8H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.47Å | 1.48Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13A | sing | 1.09Å | 1.10Å | |
| N2 | C3 | sing | 1.47Å | 1.49Å | |
| N2 | C38 | sing | 1.47Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | N5 | sing | 1.47Å | 1.48Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| N5 | C6 | sing | 1.47Å | 1.45Å | |
| N5 | C37 | sing | 1.47Å | 1.48Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | O8 | sing | 1.43Å | 1.41Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| O8 | C9 | sing | 1.36Å | 1.36Å | |
| C9 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | O12 | sing | 1.36Å | 1.37Å | |
| C11 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| O12 | C13 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C18 | sing | 1.53Å | 1.53Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | O16 | sing | 1.43Å | 1.43Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| O16 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | doub | 1.41Å | 1.44Å | Aromatic |
| C19 | C35 | sing | 1.42Å | 1.42Å | Aromatic |
| C20 | N21 | sing | 1.38Å | 1.40Å | |
| C20 | N32 | sing | 1.33Å | 1.34Å | Aromatic |
| N21 | C22 | sing | 1.40Å | 1.42Å | |
| N21 | HN21 | sing | 0.97Å | 1.00Å | |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C23 | O24 | sing | 1.37Å | 1.38Å | |
| C23 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| O24 | C25 | sing | 1.44Å | 1.43Å | |
| C25 | O26 | sing | 1.44Å | 1.43Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| O26 | C27 | sing | 1.37Å | 1.38Å | |
| C27 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | CL3 | sing | 1.74Å | 1.75Å | |
| N32 | C33 | doub | 1.32Å | 1.30Å | Aromatic |
| C33 | N34 | sing | 1.31Å | 1.32Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| N34 | C35 | doub | 1.34Å | 1.34Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | H11 | 109.5° | 109.5° |
| N2 | C1 | H12 | 109.5° | 109.5° |
| N2 | C1 | H13A | 109.4° | 109.5° |
| C1 | N2 | C3 | 108.7° | 111.0° |
| C1 | N2 | C38 | 107.8° | 111.0° |
| H11 | C1 | H12 | 109.5° | 109.5° |
| H11 | C1 | H13A | 109.4° | 109.5° |
| H12 | C1 | H13A | 109.5° | 109.4° |
| C3 | N2 | C38 | 110.7° | 110.9° |
| N2 | C3 | C4 | 108.5° | 109.4° |
| N2 | C3 | H31 | 109.7° | 109.5° |
| N2 | C3 | H32 | 109.7° | 109.5° |
| N2 | C38 | C37 | 108.4° | 109.3° |
| N2 | C38 | H381 | 109.7° | 109.4° |
| N2 | C38 | H382 | 109.7° | 109.5° |
| C4 | C3 | H31 | 109.7° | 109.5° |
| C4 | C3 | H32 | 109.7° | 109.5° |
| C3 | C4 | N5 | 111.6° | 109.4° |
| C3 | C4 | H41 | 108.9° | 109.5° |
| C3 | C4 | H42 | 109.0° | 109.5° |
| H31 | C3 | H32 | 109.5° | 109.5° |
| N5 | C4 | H41 | 109.0° | 109.5° |
| N5 | C4 | H42 | 108.9° | 109.5° |
| C4 | N5 | C6 | 104.3° | 111.0° |
| C4 | N5 | C37 | 111.4° | 110.9° |
| H41 | C4 | H42 | 109.5° | 109.5° |
| C6 | N5 | C37 | 105.0° | 111.0° |
| N5 | C6 | C7 | 111.0° | 109.5° |
| N5 | C6 | H61 | 109.1° | 109.5° |
| N5 | C6 | H62 | 109.1° | 109.5° |
| N5 | C37 | C38 | 111.5° | 109.4° |
| N5 | C37 | H371 | 108.9° | 109.5° |
| N5 | C37 | H372 | 108.9° | 109.5° |
| C7 | C6 | H61 | 109.1° | 109.5° |
| C7 | C6 | H62 | 109.1° | 109.5° |
| C6 | C7 | O8 | 108.8° | 109.5° |
| C6 | C7 | H71 | 109.6° | 109.5° |
| C6 | C7 | H72 | 109.7° | 109.5° |
| H61 | C6 | H62 | 109.4° | 109.5° |
| O8 | C7 | H71 | 109.6° | 109.5° |
| O8 | C7 | H72 | 109.7° | 109.5° |
| C7 | O8 | C9 | 108.6° | 117.0° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| O8 | C9 | C10 | 117.9° | 119.6° |
| O8 | C9 | C36 | 121.1° | 119.6° |
| C10 | C9 | C36 | 121.0° | 120.8° |
| C9 | C10 | C11 | 120.6° | 120.7° |
| C9 | C10 | H10 | 119.7° | 119.7° |
| C9 | C36 | C35 | 119.3° | 119.7° |
| C9 | C36 | H36 | 120.4° | 120.2° |
| C11 | C10 | H10 | 119.7° | 119.6° |
| C10 | C11 | O12 | 122.6° | 120.3° |
| C10 | C11 | C19 | 119.4° | 119.4° |
| O12 | C11 | C19 | 118.0° | 120.3° |
| C11 | O12 | C13 | 113.2° | 117.0° |
| C11 | C19 | C20 | 123.0° | 122.0° |
| C11 | C19 | C35 | 119.4° | 119.8° |
| O12 | C13 | C14 | 105.3° | 109.5° |
| O12 | C13 | C18 | 105.9° | 109.5° |
| O12 | C13 | H13 | 112.6° | 109.5° |
| C14 | C13 | C18 | 110.8° | 109.0° |
| C14 | C13 | H13 | 110.9° | 109.6° |
| C13 | C14 | C15 | 112.9° | 109.2° |
| C13 | C14 | H141 | 108.6° | 109.5° |
| C13 | C14 | H142 | 108.6° | 109.5° |
| C18 | C13 | H13 | 111.0° | 109.6° |
| C13 | C18 | C17 | 109.8° | 109.1° |
| C13 | C18 | H181 | 109.4° | 109.6° |
| C13 | C18 | H182 | 109.4° | 109.5° |
| C15 | C14 | H141 | 108.6° | 109.5° |
| C15 | C14 | H142 | 108.6° | 109.5° |
| C14 | C15 | O16 | 112.2° | 109.4° |
| C14 | C15 | H151 | 108.8° | 109.5° |
| C14 | C15 | H152 | 108.8° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.6° |
| O16 | C15 | H151 | 108.8° | 109.5° |
| O16 | C15 | H152 | 108.8° | 109.5° |
| C15 | O16 | C17 | 116.5° | 114.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| O16 | C17 | C18 | 109.0° | 109.4° |
| O16 | C17 | H171 | 109.6° | 109.5° |
| O16 | C17 | H172 | 109.6° | 109.4° |
| C18 | C17 | H171 | 109.6° | 109.5° |
| C18 | C17 | H172 | 109.6° | 109.4° |
| C17 | C18 | H181 | 109.4° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.6° |
| C20 | C19 | C35 | 117.6° | 118.2° |
| C19 | C20 | N21 | 121.2° | 120.9° |
| C19 | C20 | N32 | 117.9° | 118.2° |
| C19 | C35 | N34 | 118.4° | 118.6° |
| C19 | C35 | C36 | 120.3° | 119.5° |
| N21 | C20 | N32 | 120.9° | 120.9° |
| C20 | N21 | C22 | 123.2° | 120.0° |
| C20 | N21 | HN21 | 118.4° | 120.0° |
| C20 | N32 | C33 | 121.9° | 121.5° |
| C22 | N21 | HN21 | 118.4° | 120.1° |
| N21 | C22 | C23 | 120.9° | 120.1° |
| N21 | C22 | C30 | 120.6° | 120.0° |
| C23 | C22 | C30 | 118.5° | 119.9° |
| C22 | C23 | O24 | 133.4° | 131.5° |
| C22 | C23 | C27 | 120.1° | 119.8° |
| C22 | C30 | C29 | 120.7° | 120.0° |
| C22 | C30 | CL3 | 121.0° | 120.0° |
| O24 | C23 | C27 | 106.5° | 108.7° |
| C23 | O24 | C25 | 105.8° | 105.4° |
| C23 | C27 | O26 | 106.9° | 108.6° |
| C23 | C27 | C28 | 120.4° | 119.9° |
| O24 | C25 | O26 | 99.7° | 103.7° |
| O24 | C25 | H251 | 111.8° | 110.6° |
| O24 | C25 | H252 | 111.9° | 110.6° |
| O26 | C25 | H251 | 111.9° | 110.6° |
| O26 | C25 | H252 | 111.9° | 110.6° |
| C25 | O26 | C27 | 106.2° | 105.5° |
| H251 | C25 | H252 | 109.4° | 110.6° |
| O26 | C27 | C28 | 132.7° | 131.5° |
| C27 | C28 | C29 | 120.2° | 120.1° |
| C27 | C28 | H28 | 119.9° | 119.9° |
| C29 | C28 | H28 | 119.9° | 120.0° |
| C28 | C29 | C30 | 120.0° | 120.2° |
| C28 | C29 | H29 | 120.0° | 119.9° |
| C30 | C29 | H29 | 120.0° | 119.9° |
| C29 | C30 | CL3 | 118.2° | 120.0° |
| N32 | C33 | N34 | 122.8° | 122.9° |
| N32 | C33 | H33 | 118.6° | 118.6° |
| N34 | C33 | H33 | 118.6° | 118.5° |
| C33 | N34 | C35 | 121.4° | 120.5° |
| N34 | C35 | C36 | 121.3° | 121.8° |
| C35 | C36 | H36 | 120.4° | 120.1° |
| C38 | C37 | H371 | 109.0° | 109.5° |
| C38 | C37 | H372 | 109.0° | 109.5° |
| C37 | C38 | H381 | 109.7° | 109.5° |
| C37 | C38 | H382 | 109.8° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | H11 | H12 | 120.0° | 120.0° |
| N2 | C1 | H11 | H13A | 120.0° | 120.0° |
| N2 | C1 | H12 | H13A | 120.0° | 120.0° |
| C1 | N2 | C3 | C38 | 118.3° | 123.9° |
| C1 | N2 | C3 | C4 | 179.4° | 176.8° |
| C1 | N2 | C3 | H31 | 60.7° | 56.8° |
| C1 | N2 | C3 | H32 | 59.6° | 63.2° |
| C1 | N2 | C38 | C37 | 179.8° | 176.8° |
| C1 | N2 | C38 | H381 | 60.4° | 63.3° |
| C1 | N2 | C38 | H382 | 60.0° | 56.8° |
| H11 | C1 | H12 | H13A | 120.0° | 120.0° |
| H11 | C1 | N2 | C3 | 180.0° | 60.0° |
| H11 | C1 | N2 | C38 | 60.0° | 176.2° |
| H12 | C1 | N2 | C3 | 60.0° | 180.0° |
| H12 | C1 | N2 | C38 | 60.0° | 56.2° |
| H13A | C1 | N2 | C3 | 60.0° | 60.0° |
| H13A | C1 | N2 | C38 | 180.0° | 63.8° |
| N2 | C3 | C4 | H31 | 119.8° | 120.0° |
| N2 | C3 | C4 | H32 | 119.8° | 120.0° |
| N2 | C3 | H31 | H32 | 120.4° | 120.0° |
| N2 | C3 | C4 | N5 | 57.1° | 58.4° |
| N2 | C3 | C4 | H41 | 63.2° | 61.5° |
| N2 | C3 | C4 | H42 | 177.4° | 178.3° |
| C3 | N2 | C38 | C37 | 61.4° | 59.3° |
| C3 | N2 | C38 | H381 | 58.4° | 60.6° |
| C3 | N2 | C38 | H382 | 178.8° | 179.3° |
| C38 | N2 | C3 | C4 | 61.2° | 59.3° |
| C38 | N2 | C3 | H31 | 179.0° | 179.3° |
| C38 | N2 | C3 | H32 | 58.7° | 60.7° |
| N2 | C38 | C37 | N5 | 57.4° | 58.4° |
| N2 | C38 | C37 | H381 | 119.8° | 119.9° |
| N2 | C38 | C37 | H382 | 119.8° | 120.0° |
| N2 | C38 | C37 | H371 | 62.9° | 61.6° |
| N2 | C38 | C37 | H372 | 177.7° | 178.3° |
| N2 | C38 | H381 | H382 | 120.5° | 120.1° |
| C4 | C3 | H31 | H32 | 120.5° | 120.1° |
| C3 | C4 | N5 | H41 | 120.3° | 120.0° |
| C3 | C4 | N5 | H42 | 120.3° | 119.9° |
| C3 | C4 | H41 | H42 | 119.0° | 120.1° |
| C3 | C4 | N5 | C6 | 167.2° | 176.8° |
| C3 | C4 | N5 | C37 | 54.5° | 59.3° |
| H31 | C3 | C4 | N5 | 176.9° | 178.4° |
| H31 | C3 | C4 | H41 | 56.6° | 58.4° |
| H31 | C3 | C4 | H42 | 62.7° | 61.7° |
| H32 | C3 | C4 | N5 | 62.7° | 61.6° |
| H32 | C3 | C4 | H41 | 176.9° | 178.5° |
| H32 | C3 | C4 | H42 | 57.6° | 58.4° |
| N5 | C4 | H41 | H42 | 119.1° | 120.0° |
| C4 | N5 | C6 | C37 | 117.2° | 123.8° |
| C4 | N5 | C6 | C7 | 118.6° | 75.8° |
| C4 | N5 | C6 | H61 | 121.1° | 164.2° |
| C4 | N5 | C6 | H62 | 1.6° | 44.2° |
| C4 | N5 | C37 | C38 | 54.7° | 59.3° |
| C4 | N5 | C37 | H371 | 65.6° | 60.7° |
| C4 | N5 | C37 | H372 | 175.0° | 179.3° |
| H41 | C4 | N5 | C6 | 46.9° | 63.2° |
| H41 | C4 | N5 | C37 | 65.9° | 60.7° |
| H42 | C4 | N5 | C6 | 72.5° | 56.9° |
| H42 | C4 | N5 | C37 | 174.8° | 179.3° |
| N5 | C6 | C7 | H61 | 120.3° | 120.0° |
| N5 | C6 | C7 | H62 | 120.2° | 120.0° |
| N5 | C6 | H61 | H62 | 119.3° | 120.0° |
| N5 | C6 | C7 | O8 | 4.1° | 65.5° |
| N5 | C6 | C7 | H71 | 124.0° | 174.5° |
| N5 | C6 | C7 | H72 | 115.8° | 54.5° |
| C6 | N5 | C37 | C38 | 167.1° | 176.8° |
| C6 | N5 | C37 | H371 | 46.7° | 63.2° |
| C6 | N5 | C37 | H372 | 72.6° | 56.8° |
| C37 | N5 | C6 | C7 | 124.1° | 160.4° |
| C37 | N5 | C6 | H61 | 3.9° | 40.4° |
| C37 | N5 | C6 | H62 | 115.6° | 79.6° |
| N5 | C37 | C38 | H371 | 120.3° | 120.0° |
| N5 | C37 | C38 | H372 | 120.3° | 120.0° |
| N5 | C37 | H371 | H372 | 119.0° | 120.0° |
| N5 | C37 | C38 | H381 | 62.4° | 61.5° |
| N5 | C37 | C38 | H382 | 177.2° | 178.4° |
| C7 | C6 | H61 | H62 | 119.3° | 120.0° |
| C6 | C7 | O8 | H71 | 119.9° | 120.0° |
| C6 | C7 | O8 | H72 | 119.9° | 120.0° |
| C6 | C7 | H71 | H72 | 120.3° | 120.0° |
| C6 | C7 | O8 | C9 | 174.0° | 180.0° |
| H61 | C6 | C7 | O8 | 116.1° | 54.5° |
| H61 | C6 | C7 | H71 | 3.7° | 65.5° |
| H61 | C6 | C7 | H72 | 124.0° | 174.5° |
| H62 | C6 | C7 | O8 | 124.4° | 174.5° |
| H62 | C6 | C7 | H71 | 115.7° | 54.5° |
| H62 | C6 | C7 | H72 | 4.5° | 65.6° |
| O8 | C7 | H71 | H72 | 120.3° | 120.0° |
| C7 | O8 | C9 | C10 | 173.3° | 180.0° |
| C7 | O8 | C9 | C36 | 7.4° | 0.2° |
| H71 | C7 | O8 | C9 | 66.1° | 60.0° |
| H72 | C7 | O8 | C9 | 54.1° | 60.0° |
| O8 | C9 | C10 | C36 | 179.3° | 179.8° |
| O8 | C9 | C10 | C11 | 179.4° | 180.0° |
| O8 | C9 | C10 | H10 | 0.6° | 0.0° |
| O8 | C9 | C36 | C35 | 179.7° | 179.8° |
| O8 | C9 | C36 | H36 | 0.4° | 0.1° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | O12 | 179.1° | 180.0° |
| C9 | C10 | C11 | C19 | 1.5° | 0.0° |
| C10 | C9 | C36 | C35 | 0.4° | 0.4° |
| C10 | C9 | C36 | H36 | 179.6° | 179.7° |
| C36 | C9 | C10 | C11 | 1.3° | 0.2° |
| C36 | C9 | C10 | H10 | 178.7° | 179.8° |
| C9 | C36 | C35 | C19 | 0.3° | 0.4° |
| C9 | C36 | C35 | N34 | 179.1° | 179.8° |
| C9 | C36 | C35 | H36 | 180.0° | 179.9° |
| C10 | C11 | O12 | C19 | 179.4° | 180.0° |
| C10 | C11 | O12 | C13 | 22.5° | 3.7° |
| C10 | C11 | C19 | C20 | 178.6° | 180.0° |
| C10 | C11 | C19 | C35 | 0.8° | 0.0° |
| H10 | C10 | C11 | O12 | 0.9° | 0.0° |
| H10 | C10 | C11 | C19 | 178.5° | 180.0° |
| C11 | O12 | C13 | C14 | 126.9° | 155.9° |
| C11 | O12 | C13 | C18 | 115.6° | 84.5° |
| C11 | O12 | C13 | H13 | 5.9° | 35.8° |
| O12 | C11 | C19 | C20 | 0.8° | 0.0° |
| O12 | C11 | C19 | C35 | 179.8° | 180.0° |
| C19 | C11 | O12 | C13 | 156.9° | 176.3° |
| C11 | C19 | C20 | C35 | 179.4° | 180.0° |
| C11 | C19 | C20 | N21 | 0.3° | 0.0° |
| C11 | C19 | C20 | N32 | 178.1° | 180.0° |
| C11 | C19 | C35 | N34 | 179.3° | 180.0° |
| C11 | C19 | C35 | C36 | 0.1° | 0.2° |
| O12 | C13 | C14 | C18 | 114.2° | 119.8° |
| O12 | C13 | C14 | H13 | 122.1° | 120.2° |
| O12 | C13 | C18 | H13 | 122.5° | 120.2° |
| O12 | C13 | C14 | C15 | 162.2° | 176.8° |
| O12 | C13 | C14 | H141 | 77.3° | 63.2° |
| O12 | C13 | C14 | H142 | 41.7° | 57.0° |
| O12 | C13 | C18 | C17 | 168.5° | 176.9° |
| O12 | C13 | C18 | H181 | 48.5° | 56.9° |
| O12 | C13 | C18 | H182 | 71.4° | 63.3° |
| C14 | C13 | C18 | H13 | 123.8° | 119.9° |
| C13 | C14 | C15 | H141 | 120.5° | 119.9° |
| C13 | C14 | C15 | H142 | 120.5° | 119.9° |
| C13 | C14 | H141 | H142 | 118.4° | 120.2° |
| C13 | C14 | C15 | O16 | 45.2° | 57.6° |
| C13 | C14 | C15 | H151 | 75.2° | 62.4° |
| C13 | C14 | C15 | H152 | 165.6° | 177.6° |
| C14 | C13 | C18 | C17 | 54.7° | 57.0° |
| C14 | C13 | C18 | H181 | 65.3° | 62.9° |
| C14 | C13 | C18 | H182 | 174.8° | 176.9° |
| C18 | C13 | C14 | C15 | 48.1° | 57.0° |
| C18 | C13 | C14 | H141 | 168.6° | 176.9° |
| C18 | C13 | C14 | H142 | 72.4° | 62.9° |
| C13 | C18 | C17 | O16 | 59.1° | 57.7° |
| C13 | C18 | C17 | H181 | 120.0° | 119.9° |
| C13 | C18 | C17 | H182 | 120.0° | 119.8° |
| C13 | C18 | C17 | H171 | 60.8° | 62.4° |
| C13 | C18 | C17 | H172 | 179.0° | 177.6° |
| C13 | C18 | H181 | H182 | 119.9° | 120.2° |
| H13 | C13 | C14 | C15 | 75.7° | 63.0° |
| H13 | C13 | C14 | H141 | 44.8° | 56.9° |
| H13 | C13 | C14 | H142 | 163.8° | 177.1° |
| H13 | C13 | C18 | C17 | 69.0° | 62.9° |
| H13 | C13 | C18 | H181 | 170.9° | 177.2° |
| H13 | C13 | C18 | H182 | 51.0° | 56.9° |
| C15 | C14 | H141 | H142 | 118.5° | 120.1° |
| C14 | C15 | O16 | H151 | 120.4° | 120.0° |
| C14 | C15 | O16 | H152 | 120.4° | 120.0° |
| C14 | C15 | H151 | H152 | 118.8° | 120.0° |
| C14 | C15 | O16 | C17 | 52.7° | 61.2° |
| H141 | C14 | C15 | O16 | 165.7° | 177.6° |
| H141 | C14 | C15 | H151 | 45.3° | 57.5° |
| H141 | C14 | C15 | H152 | 73.9° | 62.5° |
| H142 | C14 | C15 | O16 | 75.3° | 62.3° |
| H142 | C14 | C15 | H151 | 164.3° | 177.7° |
| H142 | C14 | C15 | H152 | 45.1° | 57.7° |
| O16 | C15 | H151 | H152 | 118.8° | 120.0° |
| C15 | O16 | C17 | C18 | 59.5° | 61.2° |
| C15 | O16 | C17 | H171 | 60.4° | 58.8° |
| C15 | O16 | C17 | H172 | 179.5° | 178.9° |
| H151 | C15 | O16 | C17 | 67.8° | 58.8° |
| H152 | C15 | O16 | C17 | 173.1° | 178.9° |
| O16 | C17 | C18 | H171 | 119.9° | 120.1° |
| O16 | C17 | C18 | H172 | 119.9° | 119.9° |
| O16 | C17 | H171 | H172 | 120.2° | 120.0° |
| O16 | C17 | C18 | H181 | 60.9° | 62.3° |
| O16 | C17 | C18 | H182 | 179.1° | 177.5° |
| C18 | C17 | H171 | H172 | 120.2° | 120.0° |
| C17 | C18 | H181 | H182 | 119.9° | 120.2° |
| H171 | C17 | C18 | H181 | 179.2° | 177.7° |
| H171 | C17 | C18 | H182 | 59.2° | 57.5° |
| H172 | C17 | C18 | H181 | 59.0° | 57.7° |
| H172 | C17 | C18 | H182 | 60.9° | 62.6° |
| C19 | C20 | N21 | N32 | 178.3° | 180.0° |
| C19 | C20 | N21 | C22 | 176.5° | 174.0° |
| C19 | C20 | N21 | HN21 | 3.4° | 6.0° |
| C19 | C20 | N32 | C33 | 1.8° | 0.1° |
| C20 | C19 | C35 | N34 | 0.1° | 0.0° |
| C20 | C19 | C35 | C36 | 179.5° | 179.8° |
| C35 | C19 | C20 | N21 | 179.6° | 180.0° |
| C35 | C19 | C20 | N32 | 1.3° | 0.0° |
| C19 | C35 | N34 | C33 | 0.7° | 0.0° |
| C19 | C35 | N34 | C36 | 179.4° | 179.8° |
| C19 | C35 | C36 | H36 | 179.7° | 179.7° |
| C20 | N21 | C22 | HN21 | 180.0° | 180.0° |
| C20 | N21 | C22 | C23 | 52.3° | 66.1° |
| C20 | N21 | C22 | C30 | 129.8° | 113.6° |
| N21 | C20 | N32 | C33 | 179.8° | 180.0° |
| N32 | C20 | N21 | C22 | 5.2° | 6.0° |
| N32 | C20 | N21 | HN21 | 174.9° | 174.0° |
| C20 | N32 | C33 | N34 | 1.1° | 0.1° |
| C20 | N32 | C33 | H33 | 178.9° | 179.9° |
| N21 | C22 | C23 | C30 | 177.9° | 179.8° |
| N21 | C22 | C23 | O24 | 1.1° | 0.1° |
| N21 | C22 | C23 | C27 | 178.8° | 180.0° |
| N21 | C22 | C30 | C29 | 179.8° | 179.7° |
| N21 | C22 | C30 | CL3 | 2.1° | 0.1° |
| HN21 | N21 | C22 | C23 | 127.7° | 113.8° |
| HN21 | N21 | C22 | C30 | 50.2° | 66.4° |
| C22 | C23 | O24 | C27 | 179.9° | 180.0° |
| C22 | C23 | O24 | C25 | 155.4° | 162.7° |
| C22 | C23 | C27 | O26 | 178.8° | 180.0° |
| C22 | C23 | C27 | C28 | 0.8° | 0.0° |
| C23 | C22 | C30 | C29 | 1.9° | 0.5° |
| C23 | C22 | C30 | CL3 | 180.0° | 179.7° |
| C30 | C22 | C23 | O24 | 179.0° | 179.7° |
| C30 | C22 | C23 | C27 | 0.9° | 0.3° |
| C22 | C30 | C29 | C28 | 1.1° | 0.5° |
| C22 | C30 | C29 | CL3 | 178.1° | 179.8° |
| C22 | C30 | C29 | H29 | 178.8° | 179.7° |
| C23 | O24 | C25 | O26 | 36.9° | 27.1° |
| C23 | O24 | C25 | H251 | 81.5° | 91.5° |
| C23 | O24 | C25 | H252 | 155.3° | 145.6° |
| O24 | C23 | C27 | O26 | 1.3° | 0.0° |
| O24 | C23 | C27 | C28 | 179.3° | 180.0° |
| C27 | C23 | O24 | C25 | 24.6° | 17.3° |
| C23 | C27 | O26 | C25 | 22.6° | 17.3° |
| C23 | C27 | O26 | C28 | 177.6° | 180.0° |
| C23 | C27 | C28 | C29 | 1.6° | 0.0° |
| C23 | C27 | C28 | H28 | 178.3° | 180.0° |
| O24 | C25 | O26 | H251 | 118.4° | 118.5° |
| O24 | C25 | O26 | H252 | 118.4° | 118.5° |
| O24 | C25 | H251 | H252 | 124.5° | 122.8° |
| O24 | C25 | O26 | C27 | 36.2° | 27.1° |
| O26 | C25 | H251 | H252 | 124.6° | 122.9° |
| C25 | O26 | C27 | C28 | 155.0° | 162.7° |
| H251 | C25 | O26 | C27 | 82.2° | 91.5° |
| H252 | C25 | O26 | C27 | 154.6° | 145.6° |
| O26 | C27 | C28 | C29 | 179.0° | 180.0° |
| O26 | C27 | C28 | H28 | 1.0° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.7° | 0.3° |
| C27 | C28 | C29 | H29 | 179.4° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C28 | C29 | C30 | CL3 | 179.2° | 179.7° |
| H28 | C28 | C29 | C30 | 179.3° | 179.7° |
| H28 | C28 | C29 | H29 | 0.7° | 0.0° |
| H29 | C29 | C30 | CL3 | 0.8° | 0.1° |
| N32 | C33 | N34 | H33 | 180.0° | 180.0° |
| N32 | C33 | N34 | C35 | 0.2° | 0.1° |
| C33 | N34 | C35 | C36 | 178.7° | 179.8° |
| H33 | C33 | N34 | C35 | 179.8° | 179.9° |
| N34 | C35 | C36 | H36 | 0.9° | 0.1° |
| C38 | C37 | H371 | H372 | 119.1° | 120.0° |
| C37 | C38 | H381 | H382 | 120.5° | 120.1° |
| H371 | C37 | C38 | H381 | 177.3° | 178.5° |
| H371 | C37 | C38 | H382 | 57.0° | 58.4° |
| H372 | C37 | C38 | H381 | 57.9° | 58.5° |
| H372 | C37 | C38 | H382 | 62.5° | 61.6° |
