PBH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C1A | sing | 1.55Å | 1.54Å | |
| C1 | C2D | sing | 1.55Å | 1.53Å | |
| O2 | C7 | sing | 1.36Å | 1.38Å | |
| O2 | C12 | sing | 1.43Å | 1.45Å | |
| C3 | N4 | sing | 1.46Å | 1.47Å | |
| C3 | C2D | sing | 1.55Å | 1.53Å | |
| N4 | C1A | sing | 1.49Å | 1.46Å | |
| N4 | C5D | sing | 1.36Å | 1.35Å | |
| O4 | C15 | sing | 1.43Å | 1.45Å | |
| O4 | C17 | sing | 1.36Å | 1.39Å | |
| N5 | C28 | sing | 1.40Å | 1.38Å | |
| N5 | C30 | sing | 1.47Å | 1.47Å | |
| N5 | C31 | sing | 1.47Å | 1.47Å | |
| O5 | C5D | doub | 1.22Å | 1.22Å | |
| N6 | C32 | sing | 1.47Å | 1.51Å | |
| N6 | C33 | sing | 1.47Å | 1.50Å | |
| N6 | C34 | sing | 1.47Å | 1.50Å | |
| C7 | C6D | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C8D | sing | 1.40Å | 1.39Å | Aromatic |
| C9 | C8D | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C9A | sing | 1.39Å | 1.40Å | Aromatic |
| N10 | C11 | sing | 1.49Å | 1.46Å | |
| N10 | C9A | sing | 1.37Å | 1.38Å | |
| C11 | C1A | sing | 1.60Å | 1.53Å | |
| C13 | O13 | sing | 1.43Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| O13 | C8D | sing | 1.36Å | 1.39Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.45Å | Aromatic |
| C23 | N30 | doub | 1.31Å | 1.36Å | Aromatic |
| C23 | N40 | sing | 1.37Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.41Å | 1.37Å | Aromatic |
| C24 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | N40 | sing | 1.38Å | 1.33Å | Aromatic |
| C25 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C25 | N30 | sing | 1.36Å | 1.34Å | Aromatic |
| C26 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C29 | doub | 1.36Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C30 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| C5A | C5D | sing | 1.50Å | 1.51Å | |
| C5A | C6D | sing | 1.39Å | 1.40Å | Aromatic |
| C5A | C9A | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | 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 | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C1A | H1AA | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C2D | H2D | sing | 1.09Å | 1.10Å | |
| C2D | H2DA | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| N40 | HN40 | sing | 0.97Å | 1.00Å | |
| C6D | H6D | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1A | C1 | C2D | 104.2° | 104.4° |
| C1 | C1A | N4 | 105.8° | 105.6° |
| C1 | C1A | C11 | 112.3° | 103.4° |
| C1A | C1 | H1 | 111.3° | 110.4° |
| C1A | C1 | H1A | 111.2° | 110.4° |
| C1 | C1A | H1AA | 110.1° | 113.5° |
| C1 | C2D | C3 | 103.0° | 101.8° |
| C2D | C1 | H1 | 111.3° | 110.4° |
| C2D | C1 | H1A | 111.3° | 110.5° |
| C1 | C2D | H2D | 111.7° | 111.0° |
| C1 | C2D | H2DA | 111.7° | 110.9° |
| C7 | O2 | C12 | 122.6° | 117.0° |
| O2 | C7 | C6D | 121.6° | 120.2° |
| O2 | C7 | C8D | 118.5° | 120.1° |
| O2 | C12 | H12 | 109.5° | 109.4° |
| O2 | C12 | H12A | 109.5° | 109.5° |
| O2 | C12 | H12B | 109.5° | 109.4° |
| N4 | C3 | C2D | 107.0° | 103.2° |
| C3 | N4 | C1A | 109.6° | 109.1° |
| C3 | N4 | C5D | 124.7° | 130.3° |
| N4 | C3 | H3 | 110.3° | 110.7° |
| N4 | C3 | H3A | 110.3° | 110.7° |
| C2D | C3 | H3 | 110.3° | 110.7° |
| C2D | C3 | H3A | 110.3° | 110.7° |
| C3 | C2D | H2D | 111.7° | 111.0° |
| C3 | C2D | H2DA | 111.7° | 110.9° |
| C1A | N4 | C5D | 124.3° | 120.4° |
| N4 | C1A | C11 | 109.4° | 106.0° |
| N4 | C1A | H1AA | 112.9° | 113.3° |
| N4 | C5D | O5 | 120.4° | 122.3° |
| N4 | C5D | C5A | 118.2° | 115.6° |
| C15 | O4 | C17 | 121.8° | 117.0° |
| O4 | C15 | C14 | 109.6° | 109.5° |
| O4 | C15 | H15 | 109.4° | 109.4° |
| O4 | C15 | H15A | 109.4° | 109.5° |
| O4 | C17 | C18 | 119.4° | 119.9° |
| O4 | C17 | C19 | 121.8° | 119.9° |
| C28 | N5 | C30 | 122.4° | 111.1° |
| C28 | N5 | C31 | 122.1° | 111.0° |
| N5 | C28 | C26 | 120.0° | 119.9° |
| N5 | C28 | C29 | 121.1° | 119.8° |
| C30 | N5 | C31 | 115.1° | 110.9° |
| N5 | C30 | C32 | 109.1° | 109.4° |
| N5 | C30 | H30 | 109.6° | 109.5° |
| N5 | C30 | H30A | 109.6° | 109.5° |
| N5 | C31 | C33 | 109.4° | 109.4° |
| N5 | C31 | H31 | 109.5° | 109.5° |
| N5 | C31 | H31A | 109.5° | 109.5° |
| O5 | C5D | C5A | 121.4° | 122.2° |
| C32 | N6 | C33 | 109.8° | 110.9° |
| C32 | N6 | C34 | 109.0° | 111.0° |
| N6 | C32 | C30 | 109.6° | 109.4° |
| N6 | C32 | H32 | 109.4° | 109.5° |
| N6 | C32 | H32A | 109.4° | 109.5° |
| C33 | N6 | C34 | 108.9° | 111.0° |
| N6 | C33 | C31 | 110.3° | 109.4° |
| N6 | C33 | H33 | 109.2° | 109.5° |
| N6 | C33 | H33A | 109.2° | 109.5° |
| N6 | C34 | H34 | 109.5° | 109.4° |
| N6 | C34 | H34A | 109.5° | 109.4° |
| N6 | C34 | H34B | 109.4° | 109.5° |
| C6D | C7 | C8D | 119.8° | 119.7° |
| C7 | C6D | C5A | 121.6° | 118.0° |
| C7 | C6D | H6D | 119.2° | 120.9° |
| C7 | C8D | C9 | 119.2° | 121.3° |
| C7 | C8D | O13 | 117.9° | 119.3° |
| C8D | C9 | C9A | 121.5° | 119.1° |
| C9 | C8D | O13 | 122.9° | 119.3° |
| C8D | C9 | H9 | 119.2° | 120.4° |
| C9 | C9A | N10 | 116.2° | 121.3° |
| C9 | C9A | C5A | 119.2° | 118.6° |
| C9A | C9 | H9 | 119.3° | 120.5° |
| C11 | N10 | C9A | 126.6° | 121.1° |
| N10 | C11 | C1A | 112.4° | 101.1° |
| C11 | N10 | HN10 | 104.1° | 119.4° |
| N10 | C11 | H11 | 108.5° | 111.1° |
| N10 | C11 | H11A | 108.5° | 111.1° |
| N10 | C9A | C5A | 123.9° | 120.0° |
| C9A | N10 | HN10 | 104.1° | 119.5° |
| C1A | C11 | H11 | 108.5° | 111.1° |
| C1A | C11 | H11A | 108.5° | 111.1° |
| C11 | C1A | H1AA | 106.5° | 114.2° |
| O13 | C13 | C14 | 108.7° | 109.5° |
| C13 | O13 | C8D | 123.0° | 117.0° |
| O13 | C13 | H13 | 109.8° | 109.5° |
| O13 | C13 | H13A | 109.7° | 109.4° |
| C13 | C14 | C15 | 110.5° | 109.5° |
| C14 | C13 | H13 | 109.7° | 109.5° |
| C14 | C13 | H13A | 109.7° | 109.5° |
| C13 | C14 | H14 | 109.1° | 109.5° |
| C13 | C14 | H14A | 109.1° | 109.5° |
| C15 | C14 | H14 | 109.1° | 109.5° |
| C15 | C14 | H14A | 109.1° | 109.5° |
| C14 | C15 | H15 | 109.4° | 109.5° |
| C14 | C15 | H15A | 109.4° | 109.5° |
| C18 | C17 | C19 | 118.8° | 120.2° |
| C17 | C18 | C20 | 120.5° | 120.1° |
| C17 | C18 | H18 | 119.7° | 119.9° |
| C17 | C19 | C21 | 120.6° | 120.1° |
| C17 | C19 | H19 | 119.7° | 120.0° |
| C18 | C20 | C22 | 120.7° | 119.9° |
| C20 | C18 | H18 | 119.7° | 120.0° |
| C18 | C20 | H20 | 119.7° | 120.0° |
| C19 | C21 | C22 | 121.2° | 119.9° |
| C21 | C19 | H19 | 119.7° | 120.0° |
| C19 | C21 | H21 | 119.4° | 120.0° |
| C20 | C22 | C21 | 118.1° | 119.9° |
| C20 | C22 | C23 | 122.5° | 120.0° |
| C22 | C20 | H20 | 119.6° | 120.1° |
| C21 | C22 | C23 | 119.4° | 120.1° |
| C22 | C21 | H21 | 119.4° | 120.0° |
| C22 | C23 | N30 | 124.8° | 125.2° |
| C22 | C23 | N40 | 121.4° | 125.1° |
| N30 | C23 | N40 | 113.8° | 109.7° |
| C23 | N30 | C25 | 101.7° | 109.7° |
| C23 | N40 | C24 | 103.8° | 107.2° |
| C23 | N40 | HN40 | 128.1° | 126.4° |
| C25 | C24 | C26 | 123.4° | 119.9° |
| C25 | C24 | N40 | 108.8° | 106.2° |
| C24 | C25 | C27 | 119.9° | 119.5° |
| C24 | C25 | N30 | 111.8° | 107.2° |
| C26 | C24 | N40 | 127.8° | 133.9° |
| C24 | C26 | C28 | 118.0° | 119.7° |
| C24 | C26 | H26 | 121.0° | 120.2° |
| C24 | N40 | HN40 | 128.1° | 126.4° |
| C27 | C25 | N30 | 128.2° | 133.3° |
| C25 | C27 | C29 | 118.2° | 120.0° |
| C25 | C27 | H27 | 120.9° | 120.0° |
| C26 | C28 | C29 | 118.9° | 120.2° |
| C28 | C26 | H26 | 121.0° | 120.1° |
| C27 | C29 | C28 | 121.5° | 120.6° |
| C29 | C27 | H27 | 120.9° | 120.0° |
| C27 | C29 | H29 | 119.3° | 119.7° |
| C28 | C29 | H29 | 119.2° | 119.7° |
| C32 | C30 | H30 | 109.6° | 109.5° |
| C32 | C30 | H30A | 109.6° | 109.5° |
| C30 | C32 | H32 | 109.4° | 109.5° |
| C30 | C32 | H32A | 109.4° | 109.5° |
| C33 | C31 | H31 | 109.5° | 109.5° |
| C33 | C31 | H31A | 109.5° | 109.5° |
| C31 | C33 | H33 | 109.2° | 109.5° |
| C31 | C33 | H33A | 109.2° | 109.6° |
| C5D | C5A | C6D | 116.8° | 122.8° |
| C5D | C5A | C9A | 124.3° | 114.2° |
| C6D | C5A | C9A | 118.6° | 123.0° |
| C5A | C6D | H6D | 119.2° | 121.0° |
| H1 | C1 | H1A | 107.6° | 110.5° |
| H3 | C3 | H3A | 108.7° | 110.7° |
| H11 | C11 | H11A | 110.4° | 111.0° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.6° |
| H13 | C13 | H13A | 109.2° | 109.5° |
| H14 | C14 | H14A | 109.8° | 109.4° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H2D | C2D | H2DA | 107.2° | 110.8° |
| H30 | C30 | H30A | 109.3° | 109.5° |
| H31 | C31 | H31A | 109.4° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H33 | C33 | H33A | 109.7° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.5° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1A | C1 | C2D | H1 | 120.0° | 118.7° |
| C1A | C1 | C2D | H1A | 120.0° | 118.7° |
| C1 | C1A | N4 | C3 | 11.9° | 13.0° |
| C1A | C1 | C2D | C3 | 32.0° | 31.9° |
| C1 | C1A | N4 | C11 | 121.2° | 109.3° |
| C1 | C1A | N4 | H1AA | 120.5° | 124.8° |
| C1 | C1A | N4 | C5D | 155.3° | 162.6° |
| C1 | C1A | C11 | N10 | 173.0° | 157.0° |
| C1 | C1A | C11 | H1AA | 120.6° | 123.8° |
| C1A | C1 | H1 | H1A | 122.1° | 122.5° |
| C1 | C1A | C11 | H11 | 53.0° | 39.0° |
| C1 | C1A | C11 | H11A | 67.0° | 85.1° |
| C1A | C1 | C2D | H2D | 88.0° | 150.1° |
| C1A | C1 | C2D | H2DA | 152.0° | 86.2° |
| C1 | C2D | C3 | N4 | 25.4° | 39.9° |
| C1 | C2D | C3 | H2D | 120.0° | 118.2° |
| C1 | C2D | C3 | H2DA | 120.0° | 118.1° |
| C2D | C1 | C1A | N4 | 27.7° | 12.9° |
| C2D | C1 | C1A | C11 | 91.6° | 124.0° |
| C2D | C1 | H1 | H1A | 122.2° | 122.5° |
| C1 | C2D | C3 | H3 | 94.6° | 158.4° |
| C1 | C2D | C3 | H3A | 145.4° | 78.5° |
| C2D | C1 | C1A | H1AA | 149.9° | 111.8° |
| C1 | C2D | H2D | H2DA | 122.6° | 123.7° |
| O2 | C7 | C6D | C8D | 177.6° | 180.0° |
| O2 | C7 | C8D | C9 | 178.9° | 178.0° |
| O2 | C7 | C8D | O13 | 0.7° | 2.1° |
| O2 | C7 | C6D | C5A | 179.8° | 179.7° |
| C7 | O2 | C12 | H12 | 180.0° | 60.0° |
| C7 | O2 | C12 | H12A | 60.0° | 180.0° |
| C7 | O2 | C12 | H12B | 60.0° | 60.0° |
| O2 | C7 | C6D | H6D | 0.2° | 0.3° |
| C12 | O2 | C7 | C6D | 30.7° | 0.0° |
| C12 | O2 | C7 | C8D | 151.7° | 180.0° |
| O2 | C12 | H12 | H12A | 120.0° | 120.0° |
| O2 | C12 | H12 | H12B | 120.0° | 119.9° |
| O2 | C12 | H12A | H12B | 120.0° | 120.0° |
| N4 | C3 | C2D | H3 | 120.0° | 118.4° |
| N4 | C3 | C2D | H3A | 120.0° | 118.4° |
| C3 | N4 | C1A | C5D | 167.3° | 175.6° |
| C3 | N4 | C5D | O5 | 7.9° | 6.3° |
| C3 | N4 | C1A | C11 | 109.2° | 96.3° |
| C3 | N4 | C5D | C5A | 172.5° | 173.7° |
| N4 | C3 | H3 | H3A | 121.0° | 123.1° |
| C3 | N4 | C1A | H1AA | 132.4° | 137.7° |
| N4 | C3 | C2D | H2D | 94.6° | 158.1° |
| N4 | C3 | C2D | H2DA | 145.4° | 78.2° |
| C2D | C3 | N4 | C1A | 8.5° | 33.4° |
| C2D | C3 | N4 | C5D | 175.7° | 141.6° |
| C3 | C2D | C1 | H1 | 152.0° | 86.8° |
| C3 | C2D | C1 | H1A | 88.0° | 150.7° |
| C2D | C3 | H3 | H3A | 121.0° | 123.1° |
| C3 | C2D | H2D | H2DA | 122.6° | 123.8° |
| C1A | N4 | C5D | O5 | 157.4° | 168.2° |
| N4 | C1A | C11 | N10 | 55.9° | 46.2° |
| N4 | C1A | C11 | H1AA | 122.3° | 125.4° |
| C1A | N4 | C5D | C5A | 22.2° | 11.8° |
| N4 | C1A | C1 | H1 | 147.7° | 105.8° |
| N4 | C1A | C1 | H1A | 92.4° | 131.7° |
| C1A | N4 | C3 | H3 | 111.4° | 151.8° |
| C1A | N4 | C3 | H3A | 128.5° | 85.0° |
| N4 | C1A | C11 | H11 | 64.1° | 71.8° |
| N4 | C1A | C11 | H11A | 175.9° | 164.1° |
| N4 | C5D | O5 | C5A | 179.6° | 180.0° |
| C5D | N4 | C1A | C11 | 83.5° | 88.1° |
| N4 | C5D | C5A | C6D | 159.1° | 130.3° |
| N4 | C5D | C5A | C9A | 27.3° | 50.7° |
| C5D | N4 | C3 | H3 | 55.8° | 23.2° |
| C5D | N4 | C3 | H3A | 64.3° | 100.0° |
| C5D | N4 | C1A | H1AA | 34.9° | 37.9° |
| O4 | C15 | C14 | C13 | 179.5° | 180.0° |
| O4 | C15 | C14 | H15 | 120.0° | 120.0° |
| O4 | C15 | C14 | H15A | 120.0° | 120.0° |
| C15 | O4 | C17 | C18 | 174.8° | 180.0° |
| C15 | O4 | C17 | C19 | 6.6° | 0.3° |
| O4 | C15 | C14 | H14 | 60.5° | 60.0° |
| O4 | C15 | C14 | H14A | 59.5° | 60.0° |
| O4 | C15 | H15 | H15A | 119.9° | 120.0° |
| C17 | O4 | C15 | C14 | 176.0° | 180.0° |
| O4 | C17 | C18 | C19 | 178.6° | 179.7° |
| O4 | C17 | C18 | C20 | 177.7° | 180.0° |
| O4 | C17 | C19 | C21 | 178.0° | 180.0° |
| C17 | O4 | C15 | H15 | 56.0° | 60.0° |
| C17 | O4 | C15 | H15A | 64.0° | 60.0° |
| O4 | C17 | C18 | H18 | 2.3° | 0.0° |
| O4 | C17 | C19 | H19 | 2.0° | 0.0° |
| C28 | N5 | C30 | C31 | 173.3° | 123.9° |
| N5 | C28 | C26 | C24 | 179.4° | 180.0° |
| N5 | C28 | C26 | C29 | 180.0° | 180.0° |
| N5 | C28 | C29 | C27 | 179.9° | 180.0° |
| C28 | N5 | C30 | C32 | 130.5° | 176.8° |
| C28 | N5 | C31 | C33 | 131.4° | 176.8° |
| N5 | C28 | C26 | H26 | 0.6° | 0.0° |
| N5 | C28 | C29 | H29 | 0.1° | 0.0° |
| C28 | N5 | C30 | H30 | 10.5° | 56.8° |
| C28 | N5 | C30 | H30A | 109.5° | 63.2° |
| C28 | N5 | C31 | H31 | 108.6° | 63.2° |
| C28 | N5 | C31 | H31A | 11.4° | 56.8° |
| N5 | C30 | C32 | N6 | 56.8° | 58.4° |
| C30 | N5 | C28 | C26 | 39.0° | 180.0° |
| C30 | N5 | C28 | C29 | 141.1° | 0.0° |
| N5 | C30 | C32 | H30 | 120.0° | 120.0° |
| N5 | C30 | C32 | H30A | 120.0° | 120.0° |
| C30 | N5 | C31 | C33 | 55.2° | 59.3° |
| N5 | C30 | H30 | H30A | 120.1° | 120.0° |
| C30 | N5 | C31 | H31 | 64.8° | 60.7° |
| C30 | N5 | C31 | H31A | 175.2° | 179.3° |
| N5 | C30 | C32 | H32 | 176.8° | 178.3° |
| N5 | C30 | C32 | H32A | 63.2° | 61.6° |
| N5 | C31 | C33 | N6 | 55.3° | 58.4° |
| C31 | N5 | C28 | C26 | 148.2° | 56.2° |
| C31 | N5 | C28 | C29 | 31.8° | 123.8° |
| C31 | N5 | C30 | C32 | 56.1° | 59.3° |
| N5 | C31 | C33 | H31 | 120.0° | 120.0° |
| N5 | C31 | C33 | H31A | 120.0° | 119.9° |
| C31 | N5 | C30 | H30 | 176.2° | 179.3° |
| C31 | N5 | C30 | H30A | 63.9° | 60.7° |
| N5 | C31 | H31 | H31A | 120.0° | 120.0° |
| N5 | C31 | C33 | H33 | 64.7° | 61.6° |
| N5 | C31 | C33 | H33A | 175.3° | 178.4° |
| O5 | C5D | C5A | C6D | 20.5° | 49.6° |
| O5 | C5D | C5A | C9A | 153.2° | 129.3° |
| C32 | N6 | C33 | C34 | 119.3° | 123.8° |
| N6 | C32 | C30 | H32 | 120.0° | 119.9° |
| N6 | C32 | C30 | H32A | 120.0° | 120.0° |
| C32 | N6 | C33 | C31 | 59.3° | 59.3° |
| N6 | C32 | C30 | H30 | 176.8° | 178.4° |
| N6 | C32 | C30 | H30A | 63.2° | 61.5° |
| N6 | C32 | H32 | H32A | 119.9° | 120.1° |
| C32 | N6 | C33 | H33 | 60.7° | 60.6° |
| C32 | N6 | C33 | H33A | 179.3° | 179.4° |
| C32 | N6 | C34 | H34 | 180.0° | 60.1° |
| C32 | N6 | C34 | H34A | 60.0° | 180.0° |
| C32 | N6 | C34 | H34B | 60.0° | 60.0° |
| C33 | N6 | C32 | C30 | 60.0° | 59.3° |
| N6 | C33 | C31 | H33 | 120.0° | 120.0° |
| N6 | C33 | C31 | H33A | 120.0° | 120.0° |
| N6 | C33 | C31 | H31 | 64.8° | 61.6° |
| N6 | C33 | C31 | H31A | 175.3° | 178.3° |
| C33 | N6 | C32 | H32 | 180.0° | 179.3° |
| C33 | N6 | C32 | H32A | 60.0° | 60.6° |
| N6 | C33 | H33 | H33A | 119.6° | 120.0° |
| C33 | N6 | C34 | H34 | 60.2° | 176.2° |
| C33 | N6 | C34 | H34A | 59.8° | 56.2° |
| C33 | N6 | C34 | H34B | 179.8° | 63.8° |
| C34 | N6 | C32 | C30 | 179.2° | 176.8° |
| C34 | N6 | C33 | C31 | 178.6° | 176.8° |
| C34 | N6 | C32 | H32 | 60.8° | 56.9° |
| C34 | N6 | C32 | H32A | 59.2° | 63.2° |
| C34 | N6 | C33 | H33 | 58.5° | 63.2° |
| C34 | N6 | C33 | H33A | 61.4° | 56.8° |
| N6 | C34 | H34 | H34A | 120.0° | 119.9° |
| N6 | C34 | H34 | H34B | 120.0° | 120.0° |
| N6 | C34 | H34A | H34B | 120.0° | 120.0° |
| C6D | C7 | C8D | C9 | 1.2° | 2.0° |
| C6D | C7 | C8D | O13 | 178.4° | 177.9° |
| C7 | C6D | C5A | C5D | 176.1° | 175.6° |
| C7 | C6D | C5A | H6D | 180.0° | 180.0° |
| C7 | C6D | C5A | C9A | 2.1° | 3.3° |
| C7 | C8D | C9 | O13 | 179.6° | 179.9° |
| C7 | C8D | C9 | C9A | 0.5° | 0.3° |
| C7 | C8D | O13 | C13 | 173.9° | 180.0° |
| C8D | C7 | C6D | C5A | 2.6° | 0.2° |
| C7 | C8D | C9 | H9 | 179.5° | 179.7° |
| C8D | C7 | C6D | H6D | 177.4° | 179.7° |
| C8D | C9 | C9A | H9 | 180.0° | 180.0° |
| C8D | C9 | C9A | N10 | 172.0° | 174.5° |
| C9 | C8D | O13 | C13 | 5.7° | 0.1° |
| C8D | C9 | C9A | C5A | 1.0° | 3.0° |
| C9 | C9A | N10 | C11 | 136.0° | 99.5° |
| C9 | C9A | N10 | C5A | 170.5° | 177.4° |
| C9A | C9 | C8D | O13 | 179.8° | 179.6° |
| C9 | C9A | C5A | C5D | 173.9° | 174.0° |
| C9 | C9A | C5A | C6D | 0.3° | 4.9° |
| C9 | C9A | N10 | HN10 | 16.0° | 80.6° |
| C11 | N10 | C9A | HN10 | 120.0° | 180.0° |
| N10 | C11 | C1A | H11 | 120.0° | 118.0° |
| N10 | C11 | C1A | H11A | 120.0° | 117.9° |
| C11 | N10 | C9A | C5A | 53.4° | 78.0° |
| N10 | C11 | H11 | H11A | 118.8° | 124.1° |
| N10 | C11 | C1A | H1AA | 66.4° | 79.2° |
| C9A | N10 | C11 | C1A | 19.6° | 48.4° |
| N10 | C9A | C5A | C5D | 3.6° | 8.5° |
| N10 | C9A | C5A | C6D | 169.9° | 172.6° |
| N10 | C9A | C9 | H9 | 8.0° | 5.6° |
| C9A | N10 | C11 | H11 | 139.6° | 166.3° |
| C9A | N10 | C11 | H11A | 100.4° | 69.6° |
| C11 | C1A | C1 | H1 | 28.4° | 5.3° |
| C11 | C1A | C1 | H1A | 148.3° | 117.2° |
| C1A | C11 | N10 | HN10 | 139.6° | 131.6° |
| C1A | C11 | H11 | H11A | 118.8° | 124.2° |
| O13 | C13 | C14 | H13 | 120.0° | 120.0° |
| O13 | C13 | C14 | H13A | 120.0° | 119.9° |
| O13 | C13 | C14 | C15 | 158.8° | 180.0° |
| O13 | C13 | H13 | H13A | 120.4° | 120.0° |
| O13 | C13 | C14 | H14 | 38.8° | 59.9° |
| O13 | C13 | C14 | H14A | 81.2° | 60.0° |
| C14 | C13 | O13 | C8D | 176.1° | 180.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C14 | C13 | H13 | H13A | 120.3° | 120.0° |
| C13 | C14 | H14 | H14A | 119.6° | 119.9° |
| C13 | C14 | C15 | H15 | 60.5° | 60.0° |
| C13 | C14 | C15 | H15A | 59.6° | 60.0° |
| O13 | C8D | C9 | H9 | 0.2° | 0.4° |
| C8D | O13 | C13 | H13 | 56.1° | 59.9° |
| C8D | O13 | C13 | H13A | 63.9° | 60.1° |
| C15 | C14 | C13 | H13 | 81.2° | 60.0° |
| C15 | C14 | C13 | H13A | 38.8° | 60.0° |
| C15 | C14 | H14 | H14A | 119.6° | 120.0° |
| C14 | C15 | H15 | H15A | 120.0° | 120.1° |
| C17 | C18 | C20 | H18 | 180.0° | 179.9° |
| C18 | C17 | C19 | C21 | 0.6° | 0.2° |
| C17 | C18 | C20 | C22 | 0.2° | 0.1° |
| C18 | C17 | C19 | H19 | 179.4° | 179.8° |
| C17 | C18 | C20 | H20 | 179.8° | 180.0° |
| C19 | C17 | C18 | C20 | 0.9° | 0.2° |
| C17 | C19 | C21 | H19 | 180.0° | 180.0° |
| C17 | C19 | C21 | C22 | 0.3° | 0.0° |
| C19 | C17 | C18 | H18 | 179.1° | 179.7° |
| C17 | C19 | C21 | H21 | 179.6° | 180.0° |
| C18 | C20 | C22 | H20 | 180.0° | 179.9° |
| C18 | C20 | C22 | C21 | 0.7° | 0.3° |
| C18 | C20 | C22 | C23 | 179.7° | 179.9° |
| C19 | C21 | C22 | C20 | 1.0° | 0.3° |
| C19 | C21 | C22 | H21 | 180.0° | 179.9° |
| C19 | C21 | C22 | C23 | 179.9° | 179.9° |
| C20 | C22 | C21 | C23 | 179.0° | 179.7° |
| C20 | C22 | C23 | N30 | 8.6° | 0.1° |
| C20 | C22 | C23 | N40 | 172.0° | 179.7° |
| C22 | C20 | C18 | H18 | 179.8° | 180.0° |
| C20 | C22 | C21 | H21 | 179.0° | 179.7° |
| C21 | C22 | C23 | N30 | 170.4° | 179.7° |
| C21 | C22 | C23 | N40 | 9.0° | 0.1° |
| C22 | C21 | C19 | H19 | 179.6° | 179.9° |
| C21 | C22 | C20 | H20 | 179.2° | 179.7° |
| C22 | C23 | N30 | N40 | 179.5° | 179.6° |
| C22 | C23 | N40 | C24 | 178.1° | 180.0° |
| C22 | C23 | N30 | C25 | 178.5° | 180.0° |
| C23 | C22 | C20 | H20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H21 | 0.1° | 0.0° |
| C22 | C23 | N40 | HN40 | 1.9° | 0.1° |
| C23 | N30 | C25 | C24 | 0.8° | 0.2° |
| N30 | C23 | N40 | C24 | 2.4° | 0.3° |
| C23 | N30 | C25 | C27 | 177.2° | 179.8° |
| N30 | C23 | N40 | HN40 | 177.6° | 179.7° |
| C23 | N40 | C24 | C25 | 1.7° | 0.2° |
| C23 | N40 | C24 | C26 | 177.2° | 179.8° |
| C23 | N40 | C24 | HN40 | 180.0° | 180.0° |
| N40 | C23 | N30 | C25 | 2.0° | 0.3° |
| C25 | C24 | C26 | N40 | 178.7° | 180.0° |
| C24 | C25 | C27 | N30 | 177.8° | 180.0° |
| C25 | C24 | C26 | C28 | 0.8° | 0.0° |
| C24 | C25 | C27 | C29 | 0.5° | 0.0° |
| C25 | C24 | C26 | H26 | 179.2° | 180.0° |
| C24 | C25 | C27 | H27 | 179.4° | 180.0° |
| C25 | C24 | N40 | HN40 | 178.3° | 179.8° |
| C26 | C24 | C25 | C27 | 0.2° | 0.0° |
| C26 | C24 | C25 | N30 | 178.4° | 180.0° |
| C24 | C26 | C28 | H26 | 180.0° | 180.0° |
| C24 | C26 | C28 | C29 | 0.6° | 0.0° |
| C26 | C24 | N40 | HN40 | 2.8° | 0.2° |
| N40 | C24 | C25 | C27 | 178.8° | 180.0° |
| N40 | C24 | C25 | N30 | 0.6° | 0.0° |
| N40 | C24 | C26 | C28 | 177.9° | 180.0° |
| N40 | C24 | C26 | H26 | 2.0° | 0.0° |
| C25 | C27 | C29 | H27 | 180.0° | 180.0° |
| C25 | C27 | C29 | C28 | 0.7° | 0.0° |
| C25 | C27 | C29 | H29 | 179.3° | 180.0° |
| N30 | C25 | C27 | C29 | 177.3° | 180.0° |
| N30 | C25 | C27 | H27 | 2.7° | 0.0° |
| C26 | C28 | C29 | C27 | 0.1° | 0.0° |
| C26 | C28 | C29 | H29 | 179.9° | 180.0° |
| C27 | C29 | C28 | H29 | 180.0° | 180.0° |
| C29 | C28 | C26 | H26 | 179.4° | 180.0° |
| C28 | C29 | C27 | H27 | 179.3° | 180.0° |
| C32 | C30 | H30 | H30A | 120.1° | 120.1° |
| C30 | C32 | H32 | H32A | 119.9° | 120.1° |
| C33 | C31 | H31 | H31A | 120.0° | 120.1° |
| C31 | C33 | H33 | H33A | 119.7° | 120.1° |
| C5D | C5A | C6D | C9A | 174.0° | 178.8° |
| C5D | C5A | C6D | H6D | 3.9° | 4.4° |
| C5A | C9A | C9 | H9 | 179.0° | 177.0° |
| C5A | C9A | N10 | HN10 | 173.4° | 102.0° |
| C9A | C5A | C6D | H6D | 177.9° | 176.7° |
| H1 | C1 | C1A | H1AA | 90.1° | 129.6° |
| H1 | C1 | C2D | H2D | 32.0° | 31.4° |
| H1 | C1 | C2D | H2DA | 88.0° | 155.1° |
| H1A | C1 | C1A | H1AA | 29.9° | 7.0° |
| H1A | C1 | C2D | H2D | 152.0° | 91.1° |
| H1A | C1 | C2D | H2DA | 32.0° | 32.5° |
| H3 | C3 | C2D | H2D | 145.4° | 83.4° |
| H3 | C3 | C2D | H2DA | 25.5° | 40.3° |
| H3A | C3 | C2D | H2D | 25.4° | 39.7° |
| H3A | C3 | C2D | H2DA | 94.6° | 163.4° |
| HN10 | N10 | C11 | H11 | 100.4° | 13.6° |
| HN10 | N10 | C11 | H11A | 19.7° | 110.4° |
| H11 | C11 | C1A | H1AA | 173.6° | 162.8° |
| H11A | C11 | C1A | H1AA | 53.6° | 38.7° |
| H12 | C12 | H12A | H12B | 120.0° | 120.1° |
| H13 | C13 | C14 | H14 | 158.8° | 180.0° |
| H13 | C13 | C14 | H14A | 38.8° | 60.1° |
| H13A | C13 | C14 | H14 | 81.2° | 60.0° |
| H13A | C13 | C14 | H14A | 158.8° | 179.9° |
| H14 | C14 | C15 | H15 | 59.5° | 60.0° |
| H14 | C14 | C15 | H15A | 179.5° | 180.0° |
| H14A | C14 | C15 | H15 | 179.5° | 180.0° |
| H14A | C14 | C15 | H15A | 60.4° | 60.0° |
| H18 | C18 | C20 | H20 | 0.2° | 0.1° |
| H19 | C19 | C21 | H21 | 0.4° | 0.0° |
| H27 | C27 | C29 | H29 | 0.7° | 0.0° |
| H30 | C30 | C32 | H32 | 63.2° | 61.7° |
| H30 | C30 | C32 | H32A | 56.8° | 58.4° |
| H30A | C30 | C32 | H32 | 56.8° | 58.4° |
| H30A | C30 | C32 | H32A | 176.8° | 178.5° |
| H31 | C31 | C33 | H33 | 175.2° | 178.5° |
| H31 | C31 | C33 | H33A | 55.2° | 58.4° |
| H31A | C31 | C33 | H33 | 55.3° | 58.4° |
| H31A | C31 | C33 | H33A | 64.8° | 61.7° |
| H34 | C34 | H34A | H34B | 120.0° | 120.1° |
