851
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O16 | C15 | doub | 1.21Å | 1.24Å | |
| C15 | C8 | sing | 1.51Å | 1.56Å | |
| C15 | N17 | sing | 1.35Å | 1.36Å | |
| C8 | C9 | sing | 1.53Å | 1.56Å | |
| C8 | N7 | sing | 1.46Å | 1.48Å | |
| C9 | C14 | sing | 1.53Å | 1.56Å | |
| C9 | C10 | sing | 1.53Å | 1.56Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| N7 | C5 | sing | 1.35Å | 1.34Å | |
| C5 | O6 | doub | 1.21Å | 1.23Å | |
| C5 | C3 | sing | 1.51Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C1 | sing | 1.47Å | 1.48Å | |
| N17 | C21 | sing | 1.47Å | 1.47Å | |
| N17 | C18 | sing | 1.47Å | 1.47Å | |
| C21 | C20 | sing | 1.55Å | 1.53Å | |
| C20 | C19 | sing | 1.55Å | 1.52Å | |
| C19 | C18 | sing | 1.54Å | 1.54Å | |
| C18 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | N26 | doub | 1.28Å | 1.34Å | Aromatic |
| C22 | S23 | sing | 1.71Å | 1.72Å | Aromatic |
| N26 | C25 | sing | 1.35Å | 1.38Å | Aromatic |
| C25 | C30 | doub | 1.42Å | 1.41Å | Aromatic |
| C25 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C30 | C31 | sing | 1.48Å | 1.41Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C24 | doub | 1.39Å | 1.42Å | Aromatic |
| C24 | S23 | sing | 1.76Å | 1.72Å | Aromatic |
| C31 | C36 | doub | 1.39Å | 1.42Å | Aromatic |
| C31 | C32 | sing | 1.39Å | 1.42Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | 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 | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | 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 | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O16 | C15 | C8 | 116.1° | 120.0° |
| O16 | C15 | N17 | 120.0° | 120.0° |
| C8 | C15 | N17 | 123.9° | 120.0° |
| C15 | C8 | C9 | 113.7° | 109.5° |
| C15 | C8 | N7 | 113.1° | 109.5° |
| C15 | C8 | H8 | 104.3° | 109.4° |
| C15 | N17 | C21 | 126.3° | 125.7° |
| C15 | N17 | C18 | 121.2° | 125.6° |
| C9 | C8 | N7 | 110.9° | 109.5° |
| C8 | C9 | C14 | 114.6° | 109.5° |
| C8 | C9 | C10 | 111.6° | 109.5° |
| C9 | C8 | H8 | 106.8° | 109.5° |
| C8 | C9 | H9 | 104.6° | 109.5° |
| C8 | N7 | C5 | 123.3° | 120.0° |
| N7 | C8 | H8 | 107.5° | 109.5° |
| C8 | N7 | HN7 | 118.4° | 120.0° |
| C14 | C9 | C10 | 110.4° | 109.5° |
| C9 | C14 | C13 | 112.0° | 109.5° |
| C14 | C9 | H9 | 105.9° | 109.5° |
| C9 | C14 | H14 | 108.6° | 109.5° |
| C9 | C14 | H14A | 108.1° | 109.4° |
| C9 | C10 | C11 | 113.2° | 109.5° |
| C10 | C9 | H9 | 109.3° | 109.4° |
| C9 | C10 | H10 | 108.2° | 109.5° |
| C9 | C10 | H10A | 107.4° | 109.5° |
| C14 | C13 | C12 | 111.6° | 109.5° |
| C13 | C14 | H14 | 108.7° | 109.4° |
| C13 | C14 | H14A | 108.1° | 109.5° |
| C14 | C13 | H13 | 108.8° | 109.5° |
| C14 | C13 | H13A | 108.3° | 109.4° |
| C13 | C12 | C11 | 112.4° | 109.5° |
| C12 | C13 | H13 | 108.8° | 109.5° |
| C12 | C13 | H13A | 108.3° | 109.5° |
| C13 | C12 | H12 | 108.5° | 109.4° |
| C13 | C12 | H12A | 107.9° | 109.5° |
| C12 | C11 | C10 | 112.5° | 109.5° |
| C11 | C12 | H12 | 108.5° | 109.5° |
| C11 | C12 | H12A | 107.9° | 109.5° |
| C12 | C11 | H11 | 108.5° | 109.4° |
| C12 | C11 | H11A | 107.8° | 109.5° |
| C10 | C11 | H11 | 108.5° | 109.5° |
| C10 | C11 | H11A | 107.8° | 109.5° |
| C11 | C10 | H10 | 108.2° | 109.5° |
| C11 | C10 | H10A | 107.4° | 109.5° |
| N7 | C5 | O6 | 123.9° | 120.0° |
| N7 | C5 | C3 | 116.6° | 120.0° |
| C5 | N7 | HN7 | 118.3° | 120.0° |
| O6 | C5 | C3 | 119.5° | 120.0° |
| C5 | C3 | C4 | 111.7° | 109.5° |
| C5 | C3 | N2 | 107.4° | 109.5° |
| C5 | C3 | H3 | 111.7° | 109.5° |
| C4 | C3 | N2 | 115.4° | 109.4° |
| C4 | C3 | H3 | 102.9° | 109.5° |
| C3 | C4 | H4 | 109.5° | 109.5° |
| C3 | C4 | H4A | 109.5° | 109.4° |
| C3 | C4 | H4B | 109.5° | 109.5° |
| C3 | N2 | C1 | 118.7° | 111.0° |
| N2 | C3 | H3 | 107.7° | 109.5° |
| C3 | N2 | HN2 | 106.5° | 111.0° |
| C1 | N2 | HN2 | 106.5° | 111.0° |
| N2 | C1 | H1 | 109.5° | 109.4° |
| N2 | C1 | H1A | 109.4° | 109.5° |
| N2 | C1 | H1B | 109.4° | 109.5° |
| C21 | N17 | C18 | 112.5° | 108.7° |
| N17 | C21 | C20 | 103.6° | 104.9° |
| N17 | C21 | H21 | 111.5° | 110.3° |
| N17 | C21 | H21A | 112.7° | 110.3° |
| N17 | C18 | C19 | 103.9° | 107.3° |
| N17 | C18 | C22 | 116.5° | 109.9° |
| N17 | C18 | H18 | 109.5° | 109.9° |
| C21 | C20 | C19 | 104.5° | 101.6° |
| C20 | C21 | H21 | 111.5° | 110.4° |
| C20 | C21 | H21A | 112.7° | 110.4° |
| C21 | C20 | H20 | 111.2° | 111.0° |
| C21 | C20 | H20A | 112.2° | 111.0° |
| C20 | C19 | C18 | 105.3° | 103.0° |
| C19 | C20 | H20 | 111.2° | 111.0° |
| C19 | C20 | H20A | 112.2° | 111.0° |
| C20 | C19 | H19 | 110.9° | 110.8° |
| C20 | C19 | H19A | 111.8° | 110.7° |
| C19 | C18 | C22 | 112.0° | 110.0° |
| C18 | C19 | H19 | 110.9° | 110.9° |
| C18 | C19 | H19A | 111.8° | 110.5° |
| C19 | C18 | H18 | 114.3° | 109.8° |
| C18 | C22 | N26 | 122.4° | 124.2° |
| C18 | C22 | S23 | 120.5° | 124.3° |
| C22 | C18 | H18 | 101.0° | 110.0° |
| N26 | C22 | S23 | 117.1° | 111.5° |
| C22 | N26 | C25 | 109.6° | 117.8° |
| C22 | S23 | C24 | 87.5° | 90.8° |
| N26 | C25 | C30 | 126.1° | 129.6° |
| N26 | C25 | C24 | 113.0° | 111.9° |
| C30 | C25 | C24 | 120.9° | 118.5° |
| C25 | C30 | C29 | 116.7° | 120.0° |
| C25 | C30 | C31 | 121.8° | 120.0° |
| C25 | C24 | C27 | 121.6° | 120.4° |
| C25 | C24 | S23 | 112.8° | 108.0° |
| C29 | C30 | C31 | 121.5° | 120.0° |
| C30 | C29 | C28 | 122.0° | 120.5° |
| C30 | C29 | H29 | 119.0° | 119.7° |
| C30 | C31 | C36 | 120.4° | 120.1° |
| C30 | C31 | C32 | 123.0° | 120.2° |
| C29 | C28 | C27 | 120.9° | 120.2° |
| C28 | C29 | H29 | 119.0° | 119.8° |
| C29 | C28 | H28 | 119.6° | 119.9° |
| C28 | C27 | C24 | 117.8° | 120.4° |
| C27 | C28 | H28 | 119.5° | 119.9° |
| C28 | C27 | H27 | 121.1° | 119.9° |
| C27 | C24 | S23 | 125.6° | 131.6° |
| C24 | C27 | H27 | 121.1° | 119.8° |
| C36 | C31 | C32 | 116.7° | 119.7° |
| C31 | C36 | C35 | 121.9° | 119.9° |
| C31 | C36 | H36 | 119.1° | 120.1° |
| C31 | C32 | C33 | 121.0° | 119.8° |
| C31 | C32 | H32 | 119.5° | 120.0° |
| C36 | C35 | C34 | 119.6° | 120.2° |
| C35 | C36 | H36 | 119.1° | 120.1° |
| C36 | C35 | H35 | 120.2° | 120.0° |
| C35 | C34 | C33 | 120.1° | 120.3° |
| C34 | C35 | H35 | 120.2° | 119.9° |
| C35 | C34 | H34 | 120.0° | 119.9° |
| C34 | C33 | C32 | 120.7° | 120.1° |
| C33 | C34 | H34 | 119.9° | 119.8° |
| C34 | C33 | H33 | 119.7° | 120.0° |
| C32 | C33 | H33 | 119.6° | 119.9° |
| C33 | C32 | H32 | 119.5° | 120.1° |
| H14 | C14 | H14A | 111.4° | 109.5° |
| H13 | C13 | H13A | 111.1° | 109.5° |
| H12 | C12 | H12A | 111.8° | 109.5° |
| H11 | C11 | H11A | 111.9° | 109.5° |
| H10 | C10 | H10A | 112.5° | 109.5° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H4 | C4 | H4B | 109.4° | 109.5° |
| H4A | C4 | H4B | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| H21 | C21 | H21A | 105.0° | 110.4° |
| H20 | C20 | H20A | 105.7° | 110.9° |
| H19 | C19 | H19A | 106.3° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O16 | C15 | C8 | N17 | 178.9° | 179.7° |
| O16 | C15 | C8 | C9 | 100.0° | 120.0° |
| O16 | C15 | C8 | N7 | 27.6° | 0.0° |
| O16 | C15 | N17 | C21 | 173.3° | 180.0° |
| O16 | C15 | N17 | C18 | 7.1° | 0.3° |
| O16 | C15 | C8 | H8 | 144.1° | 120.0° |
| C15 | C8 | C9 | N7 | 128.8° | 120.0° |
| C15 | C8 | C9 | H8 | 114.4° | 120.0° |
| C15 | C8 | N7 | H8 | 114.5° | 120.0° |
| C15 | C8 | C9 | C14 | 165.6° | 180.0° |
| C15 | C8 | C9 | C10 | 68.0° | 60.0° |
| C15 | C8 | N7 | C5 | 130.8° | 155.0° |
| C8 | C15 | N17 | C21 | 7.8° | 0.3° |
| C8 | C15 | N17 | C18 | 171.8° | 179.4° |
| C15 | C8 | C9 | H9 | 50.1° | 60.0° |
| C15 | C8 | N7 | HN7 | 49.1° | 25.0° |
| N17 | C15 | C8 | C9 | 78.9° | 59.7° |
| N17 | C15 | C8 | N7 | 153.5° | 179.7° |
| C15 | N17 | C21 | C18 | 179.6° | 179.8° |
| C15 | N17 | C21 | C20 | 162.7° | 155.9° |
| C15 | N17 | C18 | C19 | 178.0° | 178.8° |
| C15 | N17 | C18 | C22 | 54.2° | 61.6° |
| N17 | C15 | C8 | H8 | 37.0° | 60.3° |
| C15 | N17 | C21 | H21 | 42.7° | 37.0° |
| C15 | N17 | C21 | H21A | 75.2° | 85.2° |
| C15 | N17 | C18 | H18 | 59.5° | 59.5° |
| C9 | C8 | N7 | H8 | 116.4° | 120.0° |
| C8 | C9 | C14 | C10 | 127.0° | 120.0° |
| C8 | C9 | C14 | H9 | 114.8° | 120.0° |
| C8 | C9 | C10 | H9 | 115.2° | 120.0° |
| C8 | C9 | C14 | C13 | 178.3° | 180.0° |
| C8 | C9 | C10 | C11 | 179.2° | 180.0° |
| C9 | C8 | N7 | C5 | 100.1° | 85.0° |
| C8 | C9 | C14 | H14 | 58.3° | 60.1° |
| C8 | C9 | C14 | H14A | 62.7° | 60.0° |
| C8 | C9 | C10 | H10 | 60.8° | 60.0° |
| C8 | C9 | C10 | H10A | 60.9° | 60.0° |
| C9 | C8 | N7 | HN7 | 79.9° | 95.0° |
| N7 | C8 | C9 | C14 | 65.7° | 60.0° |
| N7 | C8 | C9 | C10 | 60.8° | 60.0° |
| C8 | N7 | C5 | HN7 | 180.0° | 180.0° |
| C8 | N7 | C5 | O6 | 3.8° | 0.0° |
| C8 | N7 | C5 | C3 | 177.7° | 180.0° |
| N7 | C8 | C9 | H9 | 178.8° | 180.0° |
| C14 | C9 | C10 | H9 | 116.1° | 120.0° |
| C9 | C14 | C13 | H14 | 120.0° | 120.0° |
| C9 | C14 | C13 | H14A | 118.9° | 120.0° |
| C9 | C14 | C13 | C12 | 56.1° | 60.0° |
| C14 | C9 | C10 | C11 | 52.1° | 60.0° |
| C14 | C9 | C8 | H8 | 51.1° | 60.0° |
| C9 | C14 | H14 | H14A | 118.9° | 120.0° |
| C9 | C14 | C13 | H13 | 63.9° | 60.0° |
| C9 | C14 | C13 | H13A | 175.2° | 180.0° |
| C14 | C9 | C10 | H10 | 67.9° | 60.0° |
| C14 | C9 | C10 | H10A | 170.4° | 180.0° |
| C10 | C9 | C14 | C13 | 54.7° | 60.0° |
| C9 | C10 | C11 | C12 | 50.7° | 60.0° |
| C9 | C10 | C11 | H10 | 120.0° | 120.0° |
| C9 | C10 | C11 | H10A | 118.3° | 120.0° |
| C10 | C9 | C8 | H8 | 177.6° | 180.0° |
| C10 | C9 | C14 | H14 | 174.7° | 179.9° |
| C10 | C9 | C14 | H14A | 64.3° | 60.0° |
| C9 | C10 | C11 | H11 | 69.3° | 60.0° |
| C9 | C10 | C11 | H11A | 169.4° | 180.0° |
| C9 | C10 | H10 | H10A | 118.5° | 120.0° |
| C14 | C13 | C12 | H13 | 120.0° | 120.0° |
| C14 | C13 | C12 | H13A | 119.1° | 119.9° |
| C14 | C13 | C12 | C11 | 53.8° | 60.0° |
| C13 | C14 | C9 | H9 | 63.6° | 60.0° |
| C13 | C14 | H14 | H14A | 119.0° | 120.0° |
| C14 | C13 | H13 | H13A | 119.1° | 120.0° |
| C14 | C13 | C12 | H12 | 173.8° | 180.0° |
| C14 | C13 | C12 | H12A | 65.0° | 60.0° |
| C13 | C12 | C11 | H12 | 120.0° | 119.9° |
| C13 | C12 | C11 | H12A | 118.8° | 120.0° |
| C13 | C12 | C11 | C10 | 51.0° | 60.0° |
| C12 | C13 | C14 | H14 | 176.1° | 180.0° |
| C12 | C13 | C14 | H14A | 62.8° | 59.9° |
| C12 | C13 | H13 | H13A | 119.1° | 120.0° |
| C13 | C12 | H12 | H12A | 118.8° | 120.0° |
| C13 | C12 | C11 | H11 | 69.0° | 60.0° |
| C13 | C12 | C11 | H11A | 169.7° | 180.0° |
| C12 | C11 | C10 | H11 | 120.0° | 120.0° |
| C12 | C11 | C10 | H11A | 118.7° | 120.0° |
| C11 | C12 | C13 | H13 | 66.2° | 60.0° |
| C11 | C12 | C13 | H13A | 172.9° | 180.0° |
| C11 | C12 | H12 | H12A | 118.8° | 120.0° |
| C12 | C11 | H11 | H11A | 118.7° | 120.0° |
| C12 | C11 | C10 | H10 | 69.3° | 60.0° |
| C12 | C11 | C10 | H10A | 169.0° | 180.0° |
| C11 | C10 | C9 | H9 | 64.0° | 60.0° |
| C10 | C11 | C12 | H12 | 171.0° | 179.9° |
| C10 | C11 | C12 | H12A | 67.8° | 60.0° |
| C10 | C11 | H11 | H11A | 118.8° | 120.0° |
| C11 | C10 | H10 | H10A | 118.4° | 120.0° |
| N7 | C5 | O6 | C3 | 178.4° | 180.0° |
| N7 | C5 | C3 | C4 | 84.6° | 60.0° |
| N7 | C5 | C3 | N2 | 148.0° | 180.0° |
| C5 | N7 | C8 | H8 | 16.3° | 35.0° |
| N7 | C5 | C3 | H3 | 30.1° | 60.0° |
| O6 | C5 | C3 | C4 | 96.9° | 120.0° |
| O6 | C5 | C3 | N2 | 30.6° | 0.0° |
| O6 | C5 | N7 | HN7 | 176.2° | 180.0° |
| O6 | C5 | C3 | H3 | 148.4° | 120.0° |
| C5 | C3 | C4 | N2 | 123.0° | 120.0° |
| C5 | C3 | C4 | H3 | 120.0° | 120.0° |
| C5 | C3 | N2 | H3 | 120.4° | 120.0° |
| C5 | C3 | N2 | C1 | 76.7° | 155.0° |
| C3 | C5 | N7 | HN7 | 2.2° | 0.0° |
| C5 | C3 | C4 | H4 | 81.1° | 60.0° |
| C5 | C3 | C4 | H4A | 158.9° | 60.0° |
| C5 | C3 | C4 | H4B | 38.9° | 180.0° |
| C5 | C3 | N2 | HN2 | 43.3° | 31.1° |
| C4 | C3 | N2 | H3 | 114.3° | 120.0° |
| C4 | C3 | N2 | C1 | 158.1° | 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 | 81.9° | 151.0° |
| C3 | N2 | C1 | HN2 | 120.0° | 123.9° |
| N2 | C3 | C4 | H4 | 155.9° | 60.0° |
| N2 | C3 | C4 | H4A | 35.9° | 180.0° |
| N2 | C3 | C4 | H4B | 84.1° | 60.0° |
| C3 | N2 | C1 | H1 | 166.2° | 60.0° |
| C3 | N2 | C1 | H1A | 73.8° | 180.0° |
| C3 | N2 | C1 | H1B | 46.2° | 60.0° |
| C1 | N2 | C3 | H3 | 43.8° | 35.0° |
| N2 | C1 | H1 | H1A | 120.0° | 120.0° |
| N2 | C1 | H1 | H1B | 120.0° | 120.0° |
| N2 | C1 | H1A | H1B | 119.9° | 120.0° |
| N17 | C21 | C20 | H21 | 120.0° | 118.8° |
| N17 | C21 | C20 | H21A | 122.1° | 118.8° |
| N17 | C21 | C20 | C19 | 29.8° | 37.0° |
| C21 | N17 | C18 | C19 | 1.7° | 1.4° |
| C21 | N17 | C18 | C22 | 125.4° | 118.1° |
| N17 | C21 | H21 | H21A | 122.4° | 122.2° |
| N17 | C21 | C20 | H20 | 90.2° | 81.1° |
| N17 | C21 | C20 | H20A | 151.7° | 155.1° |
| C21 | N17 | C18 | H18 | 120.8° | 120.7° |
| C18 | N17 | C21 | C20 | 17.7° | 24.4° |
| N17 | C18 | C19 | C20 | 20.6° | 21.8° |
| N17 | C18 | C19 | C22 | 126.6° | 119.5° |
| N17 | C18 | C19 | H18 | 119.3° | 119.3° |
| N17 | C18 | C22 | H18 | 118.5° | 121.1° |
| N17 | C18 | C22 | N26 | 135.6° | 135.0° |
| N17 | C18 | C22 | S23 | 42.7° | 45.3° |
| C18 | N17 | C21 | H21 | 137.7° | 143.2° |
| C18 | N17 | C21 | H21A | 104.5° | 94.5° |
| N17 | C18 | C19 | H19 | 140.6° | 140.4° |
| N17 | C18 | C19 | H19A | 101.0° | 96.4° |
| C21 | C20 | C19 | H20 | 120.0° | 118.0° |
| C21 | C20 | C19 | H20A | 121.9° | 118.1° |
| C21 | C20 | C19 | C18 | 31.5° | 35.3° |
| C20 | C21 | H21 | H21A | 122.4° | 122.4° |
| C21 | C20 | H20 | H20A | 122.0° | 123.9° |
| C21 | C20 | C19 | H19 | 151.5° | 153.9° |
| C21 | C20 | C19 | H19A | 90.1° | 82.9° |
| C20 | C19 | C18 | H19 | 120.0° | 118.6° |
| C20 | C19 | C18 | H19A | 121.6° | 118.3° |
| C20 | C19 | C18 | C22 | 147.2° | 141.3° |
| C19 | C20 | C21 | H21 | 149.8° | 155.8° |
| C19 | C20 | C21 | H21A | 92.3° | 81.8° |
| C19 | C20 | H20 | H20A | 122.0° | 123.9° |
| C20 | C19 | H19 | H19A | 121.7° | 123.2° |
| C20 | C19 | C18 | H18 | 98.7° | 97.5° |
| C19 | C18 | C22 | H18 | 122.0° | 121.0° |
| C19 | C18 | C22 | N26 | 104.9° | 107.1° |
| C19 | C18 | C22 | S23 | 76.8° | 72.6° |
| C18 | C19 | C20 | H20 | 88.5° | 82.8° |
| C18 | C19 | C20 | H20A | 153.4° | 153.4° |
| C18 | C19 | H19 | H19A | 121.7° | 123.0° |
| C18 | C22 | N26 | S23 | 178.4° | 179.8° |
| C18 | C22 | N26 | C25 | 179.3° | 180.0° |
| C18 | C22 | S23 | C24 | 179.3° | 179.9° |
| C22 | C18 | C19 | H19 | 92.8° | 100.1° |
| C22 | C18 | C19 | H19A | 25.7° | 23.1° |
| C22 | N26 | C25 | C30 | 179.4° | 179.9° |
| C22 | N26 | C25 | C24 | 0.4° | 0.0° |
| N26 | C22 | S23 | C24 | 0.9° | 0.3° |
| N26 | C22 | C18 | H18 | 17.1° | 13.9° |
| S23 | C22 | N26 | C25 | 0.9° | 0.2° |
| C22 | S23 | C24 | C25 | 0.6° | 0.3° |
| C22 | S23 | C24 | C27 | 179.3° | 179.9° |
| S23 | C22 | C18 | H18 | 161.3° | 166.4° |
| N26 | C25 | C30 | C24 | 179.8° | 179.9° |
| N26 | C25 | C30 | C29 | 180.0° | 180.0° |
| N26 | C25 | C30 | C31 | 1.6° | 0.1° |
| N26 | C25 | C24 | C27 | 179.7° | 180.0° |
| N26 | C25 | C24 | S23 | 0.2° | 0.2° |
| C25 | C30 | C29 | C31 | 178.4° | 180.0° |
| C25 | C30 | C29 | C28 | 0.4° | 0.0° |
| C30 | C25 | C24 | C27 | 0.1° | 0.1° |
| C30 | C25 | C24 | S23 | 180.0° | 179.7° |
| C25 | C30 | C31 | C36 | 43.6° | 130.0° |
| C25 | C30 | C31 | C32 | 138.0° | 50.3° |
| C25 | C30 | C29 | H29 | 179.6° | 179.9° |
| C24 | C25 | C30 | C29 | 0.2° | 0.1° |
| C24 | C25 | C30 | C31 | 178.6° | 180.0° |
| C25 | C24 | C27 | C28 | 0.2° | 0.0° |
| C25 | C24 | C27 | S23 | 179.9° | 179.7° |
| C25 | C24 | C27 | H27 | 179.8° | 180.0° |
| C30 | C29 | C28 | H29 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 0.4° | 0.0° |
| C29 | C30 | C31 | C36 | 134.7° | 50.0° |
| C29 | C30 | C31 | C32 | 43.7° | 129.7° |
| C30 | C29 | C28 | H28 | 179.6° | 180.0° |
| C31 | C30 | C29 | C28 | 178.8° | 180.0° |
| C30 | C31 | C36 | C32 | 178.4° | 179.7° |
| C30 | C31 | C36 | C35 | 179.1° | 179.9° |
| C30 | C31 | C32 | C33 | 178.9° | 179.8° |
| C31 | C30 | C29 | H29 | 1.2° | 0.0° |
| C30 | C31 | C36 | H36 | 0.9° | 0.0° |
| C30 | C31 | C32 | H32 | 1.1° | 0.0° |
| C29 | C28 | C27 | H28 | 180.0° | 180.0° |
| C29 | C28 | C27 | C24 | 0.0° | 0.0° |
| C29 | C28 | C27 | H27 | 180.0° | 180.0° |
| C28 | C27 | C24 | H27 | 180.0° | 180.0° |
| C28 | C27 | C24 | S23 | 179.9° | 179.7° |
| C27 | C28 | C29 | H29 | 179.6° | 180.0° |
| C24 | C27 | C28 | H28 | 180.0° | 180.0° |
| S23 | C24 | C27 | H27 | 0.1° | 0.3° |
| C31 | C36 | C35 | H36 | 180.0° | 179.9° |
| C31 | C36 | C35 | C34 | 0.6° | 0.1° |
| C36 | C31 | C32 | C33 | 0.5° | 0.5° |
| C31 | C36 | C35 | H35 | 179.4° | 180.0° |
| C36 | C31 | C32 | H32 | 179.5° | 179.8° |
| C32 | C31 | C36 | C35 | 0.7° | 0.2° |
| C31 | C32 | C33 | C34 | 0.2° | 0.5° |
| C31 | C32 | C33 | H32 | 180.0° | 179.8° |
| C32 | C31 | C36 | H36 | 179.3° | 179.7° |
| C31 | C32 | C33 | H33 | 179.8° | 179.7° |
| C36 | C35 | C34 | H35 | 180.0° | 179.9° |
| C36 | C35 | C34 | C33 | 0.3° | 0.1° |
| C36 | C35 | C34 | H34 | 179.7° | 179.9° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.1° | 0.2° |
| C34 | C35 | C36 | H36 | 179.4° | 180.0° |
| C35 | C34 | C33 | H33 | 179.9° | 180.0° |
| C34 | C33 | C32 | H33 | 180.0° | 179.8° |
| C33 | C34 | C35 | H35 | 179.7° | 180.0° |
| C34 | C33 | C32 | H32 | 179.8° | 179.7° |
| C32 | C33 | C34 | H34 | 179.9° | 179.8° |
| H8 | C8 | C9 | H9 | 64.4° | 60.0° |
| H8 | C8 | N7 | HN7 | 163.7° | 145.0° |
| H9 | C9 | C14 | H14 | 56.4° | 60.0° |
| H9 | C9 | C14 | H14A | 177.5° | 180.0° |
| H9 | C9 | C10 | H10 | 176.0° | 180.0° |
| H9 | C9 | C10 | H10A | 54.3° | 60.1° |
| H14 | C14 | C13 | H13 | 56.1° | 60.0° |
| H14 | C14 | C13 | H13A | 64.8° | 60.0° |
| H14A | C14 | C13 | H13 | 177.2° | 180.0° |
| H14A | C14 | C13 | H13A | 56.3° | 60.0° |
| H13 | C13 | C12 | H12 | 53.8° | 60.0° |
| H13 | C13 | C12 | H12A | 175.0° | 180.0° |
| H13A | C13 | C12 | H12 | 67.1° | 60.1° |
| H13A | C13 | C12 | H12A | 54.1° | 59.9° |
| H12 | C12 | C11 | H11 | 51.0° | 59.9° |
| H12 | C12 | C11 | H11A | 70.3° | 60.0° |
| H12A | C12 | C11 | H11 | 172.3° | 180.0° |
| H12A | C12 | C11 | H11A | 50.9° | 60.0° |
| H11 | C11 | C10 | H10 | 170.7° | 179.9° |
| H11 | C11 | C10 | H10A | 49.1° | 60.1° |
| H11A | C11 | C10 | H10 | 49.4° | 60.0° |
| H11A | C11 | C10 | H10A | 72.3° | 60.0° |
| H3 | C3 | C4 | H4 | 38.9° | 180.0° |
| H3 | C3 | C4 | H4A | 81.1° | 60.0° |
| H3 | C3 | C4 | H4B | 158.8° | 60.0° |
| H3 | C3 | N2 | HN2 | 163.8° | 88.9° |
| H4 | C4 | H4A | H4B | 120.0° | 120.0° |
| HN2 | N2 | C1 | H1 | 46.2° | 64.0° |
| HN2 | N2 | C1 | H1A | 166.2° | 56.0° |
| HN2 | N2 | C1 | H1B | 73.8° | 176.1° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H21 | C21 | C20 | H20 | 29.8° | 37.7° |
| H21 | C21 | C20 | H20A | 88.3° | 86.1° |
| H21A | C21 | C20 | H20 | 147.7° | 160.1° |
| H21A | C21 | C20 | H20A | 29.5° | 36.3° |
| H20 | C20 | C19 | H19 | 31.4° | 35.9° |
| H20 | C20 | C19 | H19A | 149.9° | 159.1° |
| H20A | C20 | C19 | H19 | 86.7° | 88.0° |
| H20A | C20 | C19 | H19A | 31.8° | 35.2° |
| H19 | C19 | C18 | H18 | 21.3° | 21.0° |
| H19A | C19 | C18 | H18 | 139.7° | 144.2° |
| H29 | C29 | C28 | H28 | 0.4° | 0.0° |
| H28 | C28 | C27 | H27 | 0.0° | 0.0° |
| H36 | C36 | C35 | H35 | 0.6° | 0.1° |
| H35 | C35 | C34 | H34 | 0.3° | 0.0° |
| H34 | C34 | C33 | H33 | 0.1° | 0.0° |
| H33 | C33 | C32 | H32 | 0.2° | 0.1° |
