516
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | doub | 1.21Å | 1.22Å | |
| C15 | C8 | sing | 1.51Å | 1.50Å | |
| C15 | N17 | sing | 1.35Å | 1.34Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | N7 | sing | 1.46Å | 1.46Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C14 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| N7 | C5 | sing | 1.35Å | 1.33Å | |
| C5 | O6 | doub | 1.21Å | 1.22Å | |
| C5 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | N2 | sing | 1.47Å | 1.45Å | |
| N2 | C1 | sing | 1.47Å | 1.45Å | |
| N17 | C18 | sing | 1.47Å | 1.46Å | |
| N17 | C21 | sing | 1.47Å | 1.46Å | |
| C18 | C19 | sing | 1.54Å | 1.53Å | |
| C18 | C22 | sing | 1.51Å | 1.51Å | |
| C19 | C20 | sing | 1.55Å | 1.48Å | |
| C20 | C21 | sing | 1.55Å | 1.52Å | |
| C22 | S23 | sing | 1.71Å | 1.67Å | Aromatic |
| C22 | N26 | doub | 1.29Å | 1.33Å | Aromatic |
| S23 | C24 | sing | 1.76Å | 1.67Å | Aromatic |
| C24 | C25 | doub | 1.35Å | 1.34Å | Aromatic |
| C25 | N26 | sing | 1.33Å | 1.33Å | Aromatic |
| C25 | C27 | sing | 1.48Å | 1.51Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C32 | sing | 1.41Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.39Å | Aromatic |
| C30 | C31 | sing | 1.41Å | 1.39Å | Aromatic |
| C31 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C31 | C32 | sing | 1.42Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.36Å | 1.39Å | Aromatic |
| C32 | C36 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.36Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | 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 | |
| N7 | HN7 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | 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 | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C8 | 119.4° | 120.0° |
| O16 | C15 | N17 | 121.7° | 120.0° |
| C8 | C15 | N17 | 118.9° | 120.0° |
| C15 | C8 | C9 | 109.4° | 109.5° |
| C15 | C8 | N7 | 111.1° | 109.5° |
| C15 | C8 | H8 | 109.1° | 109.5° |
| C15 | N17 | C18 | 119.8° | 125.6° |
| C15 | N17 | C21 | 129.5° | 125.6° |
| C9 | C8 | N7 | 111.2° | 109.5° |
| C8 | C9 | C10 | 112.6° | 109.5° |
| C8 | C9 | C14 | 111.2° | 109.5° |
| C9 | C8 | H8 | 108.9° | 109.5° |
| C8 | C9 | H9 | 105.9° | 109.5° |
| C8 | N7 | C5 | 123.8° | 120.0° |
| N7 | C8 | H8 | 107.2° | 109.5° |
| C8 | N7 | HN7 | 118.1° | 120.0° |
| C10 | C9 | C14 | 108.9° | 109.5° |
| C9 | C10 | C11 | 111.3° | 109.5° |
| C10 | C9 | H9 | 108.4° | 109.5° |
| C9 | C10 | H10 | 108.9° | 109.5° |
| C9 | C10 | H10A | 108.5° | 109.5° |
| C9 | C14 | C13 | 111.3° | 109.5° |
| C14 | C9 | H9 | 109.7° | 109.5° |
| C9 | C14 | H14 | 108.8° | 109.5° |
| C9 | C14 | H14A | 108.5° | 109.5° |
| C10 | C11 | C12 | 111.2° | 109.5° |
| C11 | C10 | H10 | 108.9° | 109.5° |
| C11 | C10 | H10A | 108.5° | 109.4° |
| C10 | C11 | H11 | 108.9° | 109.5° |
| C10 | C11 | H11A | 108.5° | 109.5° |
| C11 | C12 | C13 | 111.1° | 109.5° |
| C12 | C11 | H11 | 108.9° | 109.5° |
| C12 | C11 | H11A | 108.5° | 109.5° |
| C11 | C12 | H12 | 108.9° | 109.5° |
| C11 | C12 | H12A | 108.6° | 109.5° |
| C12 | C13 | C14 | 111.0° | 109.5° |
| C13 | C12 | H12 | 108.9° | 109.5° |
| C13 | C12 | H12A | 108.5° | 109.5° |
| C12 | C13 | H13 | 108.9° | 109.5° |
| C12 | C13 | H13A | 108.6° | 109.5° |
| C14 | C13 | H13 | 109.0° | 109.4° |
| C14 | C13 | H13A | 108.6° | 109.5° |
| C13 | C14 | H14 | 108.9° | 109.5° |
| C13 | C14 | H14A | 108.5° | 109.5° |
| N7 | C5 | O6 | 123.6° | 120.0° |
| N7 | C5 | C3 | 116.5° | 120.0° |
| C5 | N7 | HN7 | 118.1° | 120.0° |
| O6 | C5 | C3 | 119.9° | 120.0° |
| C5 | C3 | C4 | 110.1° | 109.5° |
| C5 | C3 | N2 | 111.2° | 109.5° |
| C5 | C3 | H3 | 108.1° | 109.5° |
| C4 | C3 | N2 | 110.1° | 109.5° |
| C4 | C3 | H3 | 109.2° | 109.4° |
| C3 | C4 | H4 | 109.5° | 109.4° |
| C3 | C4 | H4A | 109.4° | 109.5° |
| C3 | C4 | H4B | 109.4° | 109.5° |
| C3 | N2 | C1 | 119.3° | 111.0° |
| N2 | C3 | H3 | 108.1° | 109.5° |
| C3 | N2 | HN2 | 106.3° | 111.0° |
| C1 | N2 | HN2 | 106.3° | 111.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H1A | 109.5° | 109.5° |
| N2 | C1 | H1B | 109.4° | 109.5° |
| C18 | N17 | C21 | 110.7° | 108.7° |
| N17 | C18 | C19 | 106.0° | 107.2° |
| N17 | C18 | C22 | 113.3° | 109.9° |
| N17 | C18 | H18 | 109.9° | 109.9° |
| N17 | C21 | C20 | 103.4° | 105.0° |
| N17 | C21 | H21 | 111.6° | 110.4° |
| N17 | C21 | H21A | 112.8° | 110.4° |
| C19 | C18 | C22 | 111.2° | 109.9° |
| C18 | C19 | C20 | 105.1° | 103.0° |
| C19 | C18 | H18 | 112.0° | 109.9° |
| C18 | C19 | H19 | 111.0° | 110.7° |
| C18 | C19 | H19A | 111.9° | 110.7° |
| C18 | C22 | S23 | 124.6° | 124.7° |
| C18 | C22 | N26 | 119.3° | 124.7° |
| C22 | C18 | H18 | 104.5° | 110.0° |
| C19 | C20 | C21 | 105.9° | 101.6° |
| C20 | C19 | H19 | 111.0° | 110.7° |
| C20 | C19 | H19A | 111.9° | 110.7° |
| C19 | C20 | H20 | 110.7° | 111.0° |
| C19 | C20 | H20A | 111.5° | 111.0° |
| C21 | C20 | H20 | 110.7° | 111.1° |
| C21 | C20 | H20A | 111.5° | 110.8° |
| C20 | C21 | H21 | 111.5° | 110.3° |
| C20 | C21 | H21A | 112.8° | 110.3° |
| S23 | C22 | N26 | 116.1° | 110.6° |
| C22 | S23 | C24 | 86.2° | 90.4° |
| C22 | N26 | C25 | 111.1° | 117.1° |
| S23 | C24 | C25 | 115.6° | 107.8° |
| S23 | C24 | H24 | 122.2° | 126.1° |
| C24 | C25 | N26 | 110.9° | 114.0° |
| C24 | C25 | C27 | 124.5° | 123.0° |
| C25 | C24 | H24 | 122.2° | 126.1° |
| N26 | C25 | C27 | 124.5° | 123.0° |
| C25 | C27 | C28 | 117.1° | 120.3° |
| C25 | C27 | C32 | 123.1° | 120.3° |
| C28 | C27 | C32 | 119.7° | 119.3° |
| C27 | C28 | C29 | 120.8° | 120.7° |
| C27 | C28 | H28 | 119.6° | 119.7° |
| C27 | C32 | C31 | 119.1° | 119.3° |
| C27 | C32 | C36 | 122.4° | 121.3° |
| C28 | C29 | C30 | 119.6° | 121.1° |
| C29 | C28 | H28 | 119.6° | 119.6° |
| C28 | C29 | H29 | 120.2° | 119.5° |
| C29 | C30 | C31 | 120.0° | 120.1° |
| C30 | C29 | H29 | 120.2° | 119.4° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C30 | C31 | C33 | 118.6° | 121.2° |
| C30 | C31 | C32 | 120.7° | 119.5° |
| C31 | C30 | H30 | 120.0° | 119.9° |
| C33 | C31 | C32 | 120.7° | 119.3° |
| C31 | C33 | C34 | 120.3° | 119.7° |
| C31 | C33 | H33 | 119.8° | 120.2° |
| C31 | C32 | C36 | 118.5° | 119.4° |
| C33 | C34 | C35 | 119.7° | 120.9° |
| C34 | C33 | H33 | 119.9° | 120.1° |
| C33 | C34 | H34 | 120.1° | 119.5° |
| C32 | C36 | C35 | 120.8° | 119.7° |
| C32 | C36 | H36 | 119.6° | 120.1° |
| C36 | C35 | C34 | 120.0° | 121.0° |
| C35 | C36 | H36 | 119.6° | 120.2° |
| C36 | C35 | H35 | 120.0° | 119.5° |
| C34 | C35 | H35 | 120.0° | 119.5° |
| C35 | C34 | H34 | 120.2° | 119.5° |
| H10 | C10 | H10A | 110.9° | 109.5° |
| H11 | C11 | H11A | 110.9° | 109.5° |
| H12 | C12 | H12A | 110.8° | 109.5° |
| H13 | C13 | H13A | 110.7° | 109.5° |
| H14 | C14 | H14A | 110.9° | 109.5° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| H4 | C4 | H4B | 109.5° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.4° | 109.4° |
| H1 | C1 | H1B | 109.5° | 109.5° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H19 | C19 | H19A | 106.1° | 110.8° |
| H20 | C20 | H20A | 106.7° | 111.0° |
| H21 | C21 | H21A | 104.9° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C8 | N17 | 179.3° | 179.7° |
| O16 | C15 | C8 | C9 | 99.4° | 83.7° |
| O16 | C15 | C8 | N7 | 23.7° | 36.3° |
| O16 | C15 | N17 | C18 | 2.2° | 5.1° |
| O16 | C15 | N17 | C21 | 177.1° | 175.2° |
| O16 | C15 | C8 | H8 | 141.6° | 156.3° |
| C15 | C8 | C9 | N7 | 123.0° | 120.0° |
| C15 | C8 | C9 | H8 | 119.1° | 120.0° |
| C15 | C8 | N7 | H8 | 119.0° | 120.0° |
| C15 | C8 | C9 | C10 | 69.6° | 178.6° |
| C15 | C8 | C9 | C14 | 167.8° | 61.4° |
| C15 | C8 | N7 | C5 | 139.2° | 155.0° |
| C8 | C15 | N17 | C18 | 177.0° | 175.2° |
| C8 | C15 | N17 | C21 | 3.6° | 4.5° |
| C15 | C8 | C9 | H9 | 48.6° | 58.6° |
| C15 | C8 | N7 | HN7 | 40.8° | 25.0° |
| N17 | C15 | C8 | C9 | 79.9° | 96.0° |
| N17 | C15 | C8 | N7 | 157.1° | 144.0° |
| C15 | N17 | C18 | C21 | 179.5° | 179.7° |
| C15 | N17 | C18 | C19 | 174.5° | 178.9° |
| C15 | N17 | C18 | C22 | 63.2° | 61.7° |
| C15 | N17 | C21 | C20 | 157.9° | 155.9° |
| N17 | C15 | C8 | H8 | 39.2° | 24.0° |
| C15 | N17 | C18 | H18 | 53.3° | 59.5° |
| C15 | N17 | C21 | H21 | 37.9° | 37.0° |
| C15 | N17 | C21 | H21A | 79.9° | 85.3° |
| C9 | C8 | N7 | H8 | 118.9° | 120.0° |
| C8 | C9 | C10 | C14 | 123.9° | 120.0° |
| C8 | C9 | C10 | H9 | 116.8° | 120.0° |
| C8 | C9 | C14 | H9 | 116.8° | 120.0° |
| C8 | C9 | C10 | C11 | 178.0° | 180.0° |
| C8 | C9 | C14 | C13 | 177.0° | NaN° |
| C9 | C8 | N7 | C5 | 98.8° | 85.0° |
| C8 | C9 | C10 | H10 | 61.9° | 60.0° |
| C8 | C9 | C10 | H10A | 58.8° | 60.1° |
| C8 | C9 | C14 | H14 | 57.1° | 60.0° |
| C8 | C9 | C14 | H14A | 63.7° | 60.0° |
| C9 | C8 | N7 | HN7 | 81.2° | 95.0° |
| N7 | C8 | C9 | C10 | 53.4° | 58.6° |
| N7 | C8 | C9 | C14 | 69.2° | 178.6° |
| C8 | N7 | C5 | HN7 | 180.0° | 180.0° |
| C8 | N7 | C5 | O6 | 2.2° | 0.0° |
| C8 | N7 | C5 | C3 | 179.0° | 180.0° |
| N7 | C8 | C9 | H9 | 171.7° | 61.4° |
| C10 | C9 | C14 | H9 | 118.5° | 120.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 119.2° | 120.0° |
| C9 | C10 | C11 | C12 | 56.8° | 60.0° |
| C10 | C9 | C14 | C13 | 58.3° | 60.0° |
| C10 | C9 | C8 | H8 | 171.3° | 61.4° |
| C9 | C10 | H10 | H10A | 119.3° | 120.0° |
| C9 | C10 | C11 | H11 | 176.8° | 180.0° |
| C9 | C10 | C11 | H11A | 62.4° | 60.0° |
| C10 | C9 | C14 | H14 | 178.3° | 180.0° |
| C10 | C9 | C14 | H14A | 61.0° | 60.0° |
| C14 | C9 | C10 | C11 | 58.1° | 60.0° |
| C9 | C14 | C13 | C12 | 57.2° | 60.0° |
| C9 | C14 | C13 | H14 | 120.0° | 120.0° |
| C9 | C14 | C13 | H14A | 119.3° | 120.0° |
| C14 | C9 | C8 | H8 | 48.7° | 58.6° |
| C14 | C9 | C10 | H10 | 62.0° | 60.0° |
| C14 | C9 | C10 | H10A | 177.3° | 180.0° |
| C9 | C14 | C13 | H13 | 177.1° | 180.0° |
| C9 | C14 | C13 | H13A | 62.2° | 60.0° |
| C9 | C14 | H14 | H14A | 119.2° | 120.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 119.3° | 120.0° |
| C10 | C11 | C12 | C13 | 54.4° | 60.0° |
| C11 | C10 | C9 | H9 | 61.3° | 60.0° |
| C11 | C10 | H10 | H10A | 119.3° | 120.0° |
| C10 | C11 | H11 | H11A | 119.3° | 120.0° |
| C10 | C11 | C12 | H12 | 65.6° | 60.0° |
| C10 | C11 | C12 | H12A | 173.7° | 180.0° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 119.3° | 120.0° |
| C11 | C12 | C13 | C14 | 54.5° | 60.0° |
| C12 | C11 | C10 | H10 | 63.2° | 60.0° |
| C12 | C11 | C10 | H10A | 176.0° | 180.0° |
| C12 | C11 | H11 | H11A | 119.3° | 120.0° |
| C11 | C12 | H12 | H12A | 119.4° | 120.0° |
| C11 | C12 | C13 | H13 | 174.5° | 180.0° |
| C11 | C12 | C13 | H13A | 64.9° | 60.0° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 119.3° | 120.0° |
| C13 | C12 | C11 | H11 | 174.4° | 180.0° |
| C13 | C12 | C11 | H11A | 64.9° | 60.0° |
| C13 | C12 | H12 | H12A | 119.3° | 120.0° |
| C12 | C13 | H13 | H13A | 119.4° | 120.1° |
| C12 | C13 | C14 | H14 | 177.1° | 180.0° |
| C12 | C13 | C14 | H14A | 62.1° | 60.0° |
| C13 | C14 | C9 | H9 | 60.2° | 60.0° |
| C14 | C13 | C12 | H12 | 65.5° | 60.0° |
| C14 | C13 | C12 | H12A | 173.8° | 180.0° |
| C14 | C13 | H13 | H13A | 119.4° | 120.0° |
| C13 | C14 | H14 | H14A | 119.3° | 120.0° |
| N7 | C5 | O6 | C3 | 178.8° | 180.0° |
| N7 | C5 | C3 | C4 | 81.2° | 60.0° |
| N7 | C5 | C3 | N2 | 156.4° | 180.0° |
| C5 | N7 | C8 | H8 | 20.1° | 35.0° |
| N7 | C5 | C3 | H3 | 37.9° | 60.0° |
| O6 | C5 | C3 | C4 | 99.9° | 120.0° |
| O6 | C5 | C3 | N2 | 22.4° | 0.0° |
| O6 | C5 | N7 | HN7 | 177.8° | 180.0° |
| O6 | C5 | C3 | H3 | 140.9° | 120.0° |
| C5 | C3 | C4 | N2 | 123.0° | 120.0° |
| C5 | C3 | C4 | H3 | 118.5° | 120.0° |
| C5 | C3 | N2 | H3 | 118.5° | 120.0° |
| C5 | C3 | N2 | C1 | 71.0° | 155.0° |
| C3 | C5 | N7 | HN7 | 1.0° | 0.0° |
| C5 | C3 | C4 | H4 | 147.4° | 60.0° |
| C5 | C3 | C4 | H4A | 92.6° | 60.0° |
| C5 | C3 | C4 | H4B | 27.4° | 180.0° |
| C5 | C3 | N2 | HN2 | 49.0° | 31.0° |
| C4 | C3 | N2 | H3 | 119.2° | 120.0° |
| C4 | C3 | N2 | C1 | 166.7° | 85.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4B | 120.0° | 120.0° |
| C3 | C4 | H4A | H4B | 120.0° | 120.0° |
| C4 | C3 | N2 | HN2 | 73.3° | 151.0° |
| C3 | N2 | C1 | HN2 | 120.0° | 124.0° |
| N2 | C3 | C4 | H4 | 89.6° | 60.0° |
| N2 | C3 | C4 | H4A | 30.4° | 180.0° |
| N2 | C3 | C4 | H4B | 150.4° | 60.0° |
| C3 | N2 | C1 | H1 | 94.8° | 180.0° |
| C3 | N2 | C1 | H1A | 145.2° | 60.0° |
| C3 | N2 | C1 | H1B | 25.2° | 60.0° |
| C1 | N2 | C3 | H3 | 47.5° | 35.0° |
| N2 | C1 | H1 | H1A | 120.0° | 120.0° |
| N2 | C1 | H1 | H1B | 120.0° | 120.0° |
| N2 | C1 | H1A | H1B | 120.0° | 120.1° |
| N17 | C18 | C19 | C22 | 123.6° | 119.4° |
| N17 | C18 | C19 | H18 | 119.9° | 119.4° |
| N17 | C18 | C22 | H18 | 119.6° | 121.1° |
| N17 | C18 | C19 | C20 | 14.2° | 22.2° |
| C18 | N17 | C21 | C20 | 21.5° | 23.8° |
| N17 | C18 | C22 | S23 | 28.0° | 45.0° |
| N17 | C18 | C22 | N26 | 151.4° | 134.8° |
| N17 | C18 | C19 | H19 | 105.8° | 96.2° |
| N17 | C18 | C19 | H19A | 135.9° | 140.6° |
| C18 | N17 | C21 | H21 | 141.5° | 142.7° |
| C18 | N17 | C21 | H21A | 100.7° | 95.0° |
| C21 | N17 | C18 | C19 | 5.0° | 0.8° |
| C21 | N17 | C18 | C22 | 117.3° | 118.6° |
| N17 | C21 | C20 | C19 | 30.1° | 36.7° |
| N17 | C21 | C20 | H21 | 120.0° | 118.9° |
| N17 | C21 | C20 | H21A | 122.2° | 118.9° |
| C21 | N17 | C18 | H18 | 126.2° | 120.2° |
| N17 | C21 | C20 | H20 | 150.1° | 154.9° |
| N17 | C21 | C20 | H20A | 91.3° | 81.3° |
| N17 | C21 | H21 | H21A | 122.5° | 122.3° |
| C19 | C18 | C22 | H18 | 121.1° | 121.1° |
| C18 | C19 | C20 | H19 | 120.0° | 118.4° |
| C18 | C19 | C20 | H19A | 121.6° | 118.3° |
| C18 | C19 | C20 | C21 | 27.3° | 35.4° |
| C19 | C18 | C22 | S23 | 91.3° | 72.8° |
| C19 | C18 | C22 | N26 | 89.3° | 107.5° |
| C18 | C19 | H19 | H19A | 121.8° | 123.2° |
| C18 | C19 | C20 | H20 | 147.3° | 153.6° |
| C18 | C19 | C20 | H20A | 94.0° | 82.5° |
| C22 | C18 | C19 | C20 | 137.8° | 141.6° |
| C18 | C22 | S23 | N26 | 179.4° | 179.8° |
| C18 | C22 | S23 | C24 | 179.6° | 180.0° |
| C18 | C22 | N26 | C25 | 179.1° | 179.8° |
| C22 | C18 | C19 | H19 | 17.8° | 23.2° |
| C22 | C18 | C19 | H19A | 100.5° | 100.1° |
| C19 | C20 | C21 | H20 | 120.0° | 118.1° |
| C19 | C20 | C21 | H20A | 121.4° | 118.0° |
| C20 | C19 | C18 | H18 | 105.6° | 97.2° |
| C20 | C19 | H19 | H19A | 121.8° | 123.2° |
| C19 | C20 | H20 | H20A | 121.5° | 123.9° |
| C19 | C20 | C21 | H21 | 150.1° | 155.6° |
| C19 | C20 | C21 | H21A | 92.1° | 82.1° |
| C21 | C20 | C19 | H19 | 92.7° | 83.0° |
| C21 | C20 | C19 | H19A | 149.0° | 153.7° |
| C21 | C20 | H20 | H20A | 121.5° | 123.8° |
| C20 | C21 | H21 | H21A | 122.4° | 122.1° |
| C22 | S23 | C24 | C25 | 0.6° | 0.0° |
| S23 | C22 | N26 | C25 | 0.3° | 0.4° |
| S23 | C22 | C18 | H18 | 147.6° | 166.1° |
| C22 | S23 | C24 | H24 | 179.4° | 180.0° |
| N26 | C22 | S23 | C24 | 0.2° | 0.2° |
| C22 | N26 | C25 | C24 | 0.7° | 0.4° |
| C22 | N26 | C25 | C27 | 179.0° | 179.8° |
| N26 | C22 | C18 | H18 | 31.8° | 13.6° |
| S23 | C24 | C25 | H24 | 180.0° | 180.0° |
| S23 | C24 | C25 | N26 | 0.9° | 0.2° |
| S23 | C24 | C25 | C27 | 179.2° | 180.0° |
| C24 | C25 | N26 | C27 | 178.3° | 179.8° |
| C24 | C25 | C27 | C28 | 39.9° | 53.5° |
| C24 | C25 | C27 | C32 | 140.9° | 126.8° |
| N26 | C25 | C27 | C28 | 138.2° | 126.3° |
| N26 | C25 | C27 | C32 | 41.0° | 53.4° |
| N26 | C25 | C24 | H24 | 179.1° | 179.8° |
| C25 | C27 | C28 | C32 | 179.2° | 179.7° |
| C25 | C27 | C28 | C29 | 179.6° | 180.0° |
| C25 | C27 | C32 | C31 | 179.5° | 179.7° |
| C25 | C27 | C32 | C36 | 0.6° | 0.1° |
| C27 | C25 | C24 | H24 | 0.8° | 0.0° |
| C25 | C27 | C28 | H28 | 0.3° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C28 | C27 | C32 | C31 | 0.3° | 0.6° |
| C28 | C27 | C32 | C36 | 179.8° | 179.8° |
| C27 | C28 | C29 | H29 | 179.7° | 180.0° |
| C32 | C27 | C28 | C29 | 0.4° | 0.3° |
| C27 | C32 | C31 | C30 | 0.1° | 0.6° |
| C27 | C32 | C31 | C33 | 179.9° | 179.7° |
| C27 | C32 | C31 | C36 | 179.8° | 179.6° |
| C27 | C32 | C36 | C35 | 179.9° | 180.0° |
| C32 | C27 | C28 | H28 | 179.6° | 179.7° |
| C27 | C32 | C36 | H36 | 0.1° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C28 | C29 | C30 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C33 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.3° |
| C30 | C29 | C28 | H28 | 179.7° | 180.0° |
| C30 | C31 | C33 | C32 | 180.0° | 179.8° |
| C30 | C31 | C33 | C34 | 179.9° | 180.0° |
| C30 | C31 | C32 | C36 | 180.0° | 179.8° |
| C31 | C30 | C29 | H29 | 180.0° | 180.0° |
| C30 | C31 | C33 | H33 | 0.1° | 0.0° |
| C31 | C33 | C34 | H33 | 180.0° | 180.0° |
| C33 | C31 | C32 | C36 | 0.0° | 0.0° |
| C31 | C33 | C34 | C35 | 0.2° | 0.7° |
| C33 | C31 | C30 | H30 | 0.0° | 0.0° |
| C31 | C33 | C34 | H34 | 179.8° | 180.0° |
| C32 | C31 | C33 | C34 | 0.1° | 0.2° |
| C31 | C32 | C36 | C35 | 0.1° | 0.3° |
| C32 | C31 | C30 | H30 | 180.0° | 179.8° |
| C32 | C31 | C33 | H33 | 179.9° | 179.8° |
| C31 | C32 | C36 | H36 | 179.9° | 179.7° |
| C33 | C34 | C35 | C36 | 0.2° | 1.1° |
| C33 | C34 | C35 | H34 | 180.0° | 179.2° |
| C33 | C34 | C35 | H35 | 179.8° | 179.7° |
| C32 | C36 | C35 | H36 | 180.0° | 180.0° |
| C32 | C36 | C35 | C34 | 0.0° | 0.8° |
| C32 | C36 | C35 | H35 | 179.9° | 179.9° |
| C36 | C35 | C34 | H35 | 180.0° | 179.2° |
| C36 | C35 | C34 | H34 | 179.8° | 179.7° |
| C35 | C34 | C33 | H33 | 179.8° | 179.2° |
| C34 | C35 | C36 | H36 | 180.0° | 179.2° |
| H8 | C8 | C9 | H9 | 70.5° | 178.6° |
| H8 | C8 | N7 | HN7 | 159.9° | 145.0° |
| H9 | C9 | C10 | H10 | 178.7° | 180.0° |
| H9 | C9 | C10 | H10A | 58.0° | 60.0° |
| H9 | C9 | C14 | H14 | 59.8° | 60.0° |
| H9 | C9 | C14 | H14A | 179.4° | 180.0° |
| H10 | C10 | C11 | H11 | 56.7° | 60.0° |
| H10 | C10 | C11 | H11A | 177.5° | 180.0° |
| H10A | C10 | C11 | H11 | 64.0° | 60.0° |
| H10A | C10 | C11 | H11A | 56.8° | 60.0° |
| H11 | C11 | C12 | H12 | 54.4° | 60.0° |
| H11 | C11 | C12 | H12A | 66.3° | 60.0° |
| H11A | C11 | C12 | H12 | 175.1° | 180.0° |
| H11A | C11 | C12 | H12A | 54.4° | 60.0° |
| H12 | C12 | C13 | H13 | 54.5° | 60.0° |
| H12 | C12 | C13 | H13A | 175.1° | 180.0° |
| H12A | C12 | C13 | H13 | 66.2° | 60.0° |
| H12A | C12 | C13 | H13A | 54.4° | 60.0° |
| H13 | C13 | C14 | H14 | 62.9° | 60.0° |
| H13 | C13 | C14 | H14A | 57.9° | 60.0° |
| H13A | C13 | C14 | H14 | 57.8° | 60.0° |
| H13A | C13 | C14 | H14A | 178.6° | NaN° |
| H3 | C3 | C4 | H4 | 28.9° | 180.0° |
| H3 | C3 | C4 | H4A | 148.9° | 60.0° |
| H3 | C3 | C4 | H4B | 91.1° | 60.0° |
| H3 | C3 | N2 | HN2 | 167.5° | 89.0° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| HN2 | N2 | C1 | H1 | 25.2° | 56.1° |
| HN2 | N2 | C1 | H1A | 94.8° | 176.0° |
| HN2 | N2 | C1 | H1B | 145.2° | 64.0° |
| H1 | C1 | H1A | H1B | 120.0° | 119.9° |
| H18 | C18 | C19 | H19 | 134.4° | 144.4° |
| H18 | C18 | C19 | H19A | 16.0° | 21.1° |
| H19 | C19 | C20 | H20 | 27.3° | 35.2° |
| H19 | C19 | C20 | H20A | 146.0° | 159.1° |
| H19A | C19 | C20 | H20 | 91.0° | 88.1° |
| H19A | C19 | C20 | H20A | 27.6° | 35.8° |
| H20 | C20 | C21 | H21 | 89.9° | 86.2° |
| H20 | C20 | C21 | H21A | 27.9° | 36.0° |
| H20A | C20 | C21 | H21 | 28.7° | 37.6° |
| H20A | C20 | C21 | H21A | 146.5° | 159.8° |
| H28 | C28 | C29 | H29 | 0.3° | 0.0° |
| H29 | C29 | C30 | H30 | 0.0° | 0.1° |
| H33 | C33 | C34 | H34 | 0.2° | 0.0° |
| H36 | C36 | C35 | H35 | 0.0° | 0.0° |
| H35 | C35 | C34 | H34 | 0.2° | 0.5° |
