9MX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C1 | sing | 1.53Å | 1.57Å | |
| C2 | C1 | sing | 1.51Å | 1.57Å | |
| C1 | N3 | sing | 1.46Å | 1.44Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N5 | C2 | sing | 1.35Å | 1.38Å | |
| C2 | O6 | doub | 1.21Å | 1.25Å | |
| N3 | S7 | sing | 1.66Å | 1.63Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | C8 | sing | 1.51Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C21 | N5 | sing | 1.47Å | 1.45Å | |
| C9 | N5 | sing | 1.47Å | 1.45Å | |
| O12 | S7 | doub | 1.42Å | 1.41Å | |
| S7 | C11 | sing | 1.76Å | 1.69Å | |
| S7 | O13 | doub | 1.42Å | 1.42Å | |
| N14 | C8 | sing | 1.35Å | 1.38Å | |
| C8 | O15 | doub | 1.21Å | 1.26Å | |
| C16 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | C29 | sing | 1.53Å | 1.52Å | |
| C10 | C28 | sing | 1.53Å | 1.53Å | |
| C10 | C16 | sing | 1.53Å | 1.52Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | C11 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | N14 | sing | 1.46Å | 1.43Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| O23 | C17 | doub | 1.21Å | 1.37Å | |
| O24 | C17 | sing | 1.34Å | 1.24Å | |
| C17 | C21 | sing | 1.51Å | 1.53Å | |
| C18 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C26 | doub | 1.36Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C27 | sing | 1.53Å | 1.54Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C28 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| O24 | HO24 | sing | 0.97Å | 0.95Å | |
| C31 | C25 | doub | 1.40Å | 1.43Å | Aromatic |
| C25 | C30 | sing | 1.42Å | 1.42Å | Aromatic |
| C30 | C26 | sing | 1.40Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C33 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C32 | sing | 1.53Å | 1.53Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C30 | C35 | doub | 1.41Å | 1.42Å | Aromatic |
| C31 | C36 | sing | 1.36Å | 1.37Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | N37 | sing | 1.47Å | 1.45Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | C38 | sing | 1.53Å | 1.52Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C39 | C35 | sing | 1.36Å | 1.38Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | C39 | doub | 1.39Å | 1.42Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C40 | N37 | sing | 1.47Å | 1.45Å | |
| N37 | C41 | sing | 1.37Å | 1.47Å | |
| C38 | C40 | sing | 1.53Å | 1.52Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| C41 | N43 | doub | 1.30Å | 1.31Å | |
| C41 | N42 | sing | 1.38Å | 1.43Å | |
| N42 | HN42 | sing | 0.97Å | 1.00Å | |
| N42 | HN4A | sing | 0.97Å | 1.00Å | |
| N43 | HN43 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C2 | 111.9° | 109.5° |
| C4 | C1 | N3 | 115.8° | 109.5° |
| C4 | C1 | H1 | 105.7° | 109.5° |
| C1 | C4 | C8 | 116.6° | 109.4° |
| C1 | C4 | H4 | 107.7° | 109.5° |
| C1 | C4 | H4A | 107.7° | 109.4° |
| C2 | C1 | N3 | 110.0° | 109.5° |
| C2 | C1 | H1 | 105.7° | 109.5° |
| C1 | C2 | N5 | 118.7° | 120.0° |
| C1 | C2 | O6 | 120.7° | 120.0° |
| N3 | C1 | H1 | 107.1° | 109.5° |
| C1 | N3 | S7 | 126.8° | 120.0° |
| C1 | N3 | HN3 | 105.0° | 120.0° |
| N5 | C2 | O6 | 120.5° | 120.0° |
| C2 | N5 | C21 | 121.1° | 120.7° |
| C2 | N5 | C9 | 125.3° | 120.7° |
| S7 | N3 | HN3 | 105.0° | 120.0° |
| N3 | S7 | O12 | 108.0° | 106.4° |
| N3 | S7 | C11 | 108.3° | 107.2° |
| N3 | S7 | O13 | 107.1° | 106.4° |
| C8 | C4 | H4 | 107.7° | 109.5° |
| C8 | C4 | H4A | 107.7° | 109.5° |
| C4 | C8 | N14 | 119.1° | 119.9° |
| C4 | C8 | O15 | 120.1° | 120.0° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| C21 | N5 | C9 | 112.7° | 118.7° |
| N5 | C21 | C17 | 113.1° | 109.6° |
| N5 | C21 | C28 | 111.9° | 108.8° |
| N5 | C21 | H21 | 107.3° | 109.6° |
| N5 | C9 | C16 | 111.8° | 108.8° |
| N5 | C9 | H9 | 108.9° | 109.5° |
| N5 | C9 | H9A | 108.9° | 109.6° |
| O12 | S7 | C11 | 107.6° | 106.4° |
| O12 | S7 | O13 | 118.3° | 123.2° |
| C11 | S7 | O13 | 107.3° | 106.4° |
| S7 | C11 | C18 | 121.6° | 119.5° |
| S7 | C11 | C19 | 119.5° | 119.5° |
| N14 | C8 | O15 | 120.8° | 120.1° |
| C8 | N14 | C20 | 121.1° | 119.9° |
| C8 | N14 | HN14 | 119.5° | 120.0° |
| C16 | C9 | H9 | 108.9° | 109.6° |
| C16 | C9 | H9A | 108.9° | 109.7° |
| C9 | C16 | C10 | 113.1° | 109.3° |
| C9 | C16 | H16 | 108.6° | 109.5° |
| C9 | C16 | H16A | 108.6° | 109.5° |
| H9 | C9 | H9A | 109.4° | 109.6° |
| C29 | C10 | C28 | 109.9° | 109.5° |
| C29 | C10 | C16 | 110.0° | 109.2° |
| C29 | C10 | H10 | 107.9° | 109.5° |
| C10 | C29 | H29 | 109.5° | 109.5° |
| C10 | C29 | H29A | 109.5° | 109.4° |
| C10 | C29 | H29B | 109.4° | 109.4° |
| C28 | C10 | C16 | 113.2° | 109.7° |
| C28 | C10 | H10 | 107.8° | 109.5° |
| C10 | C28 | C21 | 113.6° | 109.2° |
| C10 | C28 | H28 | 108.4° | 109.5° |
| C10 | C28 | H28A | 108.4° | 109.4° |
| C16 | C10 | H10 | 107.8° | 109.6° |
| C10 | C16 | H16 | 108.6° | 109.5° |
| C10 | C16 | H16A | 108.5° | 109.5° |
| C18 | C11 | C19 | 118.9° | 121.0° |
| C11 | C18 | C25 | 121.1° | 119.7° |
| C11 | C18 | H18 | 119.5° | 120.2° |
| C11 | C19 | C26 | 121.5° | 121.0° |
| C11 | C19 | H19 | 119.3° | 119.5° |
| C20 | N14 | HN14 | 119.4° | 120.1° |
| N14 | C20 | C27 | 117.5° | 109.4° |
| N14 | C20 | H20 | 107.4° | 109.6° |
| N14 | C20 | H20A | 107.4° | 109.5° |
| H16 | C16 | H16A | 109.5° | 109.5° |
| O23 | C17 | O24 | 118.2° | 120.0° |
| O23 | C17 | C21 | 113.8° | 120.0° |
| O24 | C17 | C21 | 128.0° | 120.0° |
| C17 | O24 | HO24 | 109.5° | 117.0° |
| C17 | C21 | C28 | 111.4° | 109.5° |
| C17 | C21 | H21 | 106.4° | 109.5° |
| C25 | C18 | H18 | 119.5° | 120.2° |
| C18 | C25 | C31 | 121.4° | 121.3° |
| C18 | C25 | C30 | 119.2° | 119.3° |
| C26 | C19 | H19 | 119.3° | 119.5° |
| C19 | C26 | C30 | 120.2° | 119.7° |
| C19 | C26 | H26 | 119.9° | 120.2° |
| C27 | C20 | H20 | 107.4° | 109.4° |
| C27 | C20 | H20A | 107.4° | 109.4° |
| C20 | C27 | C33 | 111.9° | 109.5° |
| C20 | C27 | C32 | 109.6° | 109.5° |
| C20 | C27 | H27 | 108.2° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| C28 | C21 | H21 | 106.3° | 109.7° |
| C21 | C28 | H28 | 108.4° | 109.3° |
| C21 | C28 | H28A | 108.4° | 109.8° |
| C31 | C25 | C30 | 119.4° | 119.4° |
| C25 | C31 | C36 | 120.5° | 119.6° |
| C25 | C31 | H31 | 119.7° | 120.2° |
| C25 | C30 | C26 | 119.2° | 119.4° |
| C25 | C30 | C35 | 119.2° | 119.3° |
| C30 | C26 | H26 | 119.9° | 120.2° |
| C26 | C30 | C35 | 121.6° | 121.3° |
| C33 | C27 | C32 | 110.3° | 109.3° |
| C33 | C27 | H27 | 108.4° | 109.5° |
| C27 | C33 | C38 | 112.5° | 109.5° |
| C27 | C33 | H33 | 108.7° | 109.4° |
| C27 | C33 | H33A | 108.7° | 109.5° |
| C32 | C27 | H27 | 108.4° | 109.4° |
| C27 | C32 | N37 | 114.8° | 108.8° |
| C27 | C32 | H32 | 108.1° | 109.6° |
| C27 | C32 | H32A | 108.1° | 109.5° |
| H28 | C28 | H28A | 109.4° | 109.6° |
| H29 | C29 | H29A | 109.4° | 109.5° |
| H29 | C29 | H29B | 109.5° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| C30 | C35 | C39 | 119.8° | 119.7° |
| C30 | C35 | H35 | 120.1° | 120.1° |
| C36 | C31 | H31 | 119.8° | 120.2° |
| C31 | C36 | C39 | 119.6° | 121.0° |
| C31 | C36 | H36 | 120.2° | 119.5° |
| N37 | C32 | H32 | 108.1° | 109.6° |
| N37 | C32 | H32A | 108.1° | 109.6° |
| C32 | N37 | C40 | 113.3° | 118.8° |
| C32 | N37 | C41 | 112.8° | 120.6° |
| H32 | C32 | H32A | 109.4° | 109.7° |
| C38 | C33 | H33 | 108.7° | 109.4° |
| C38 | C33 | H33A | 108.7° | 109.5° |
| C33 | C38 | C40 | 112.9° | 109.3° |
| C33 | C38 | H38 | 108.6° | 109.5° |
| C33 | C38 | H38A | 108.6° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| C39 | C35 | H35 | 120.1° | 120.2° |
| C35 | C39 | C36 | 121.5° | 121.0° |
| C35 | C39 | H39 | 119.2° | 119.5° |
| C39 | C36 | H36 | 120.2° | 119.5° |
| C36 | C39 | H39 | 119.3° | 119.5° |
| C40 | N37 | C41 | 117.8° | 120.6° |
| N37 | C40 | C38 | 116.0° | 108.8° |
| N37 | C40 | H40 | 107.9° | 109.6° |
| N37 | C40 | H40A | 107.8° | 109.5° |
| N37 | C41 | N43 | 122.3° | 120.0° |
| N37 | C41 | N42 | 114.1° | 120.0° |
| C40 | C38 | H38 | 108.6° | 109.5° |
| C40 | C38 | H38A | 108.6° | 109.5° |
| C38 | C40 | H40 | 107.8° | 109.6° |
| C38 | C40 | H40A | 107.8° | 109.6° |
| H38 | C38 | H38A | 109.5° | 109.5° |
| H40 | C40 | H40A | 109.5° | 109.7° |
| N43 | C41 | N42 | 123.6° | 120.0° |
| C41 | N43 | HN43 | 112.0° | 120.0° |
| C41 | N42 | HN42 | 120.0° | 120.0° |
| C41 | N42 | HN4A | 120.0° | 120.0° |
| HN42 | N42 | HN4A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C2 | N3 | 130.1° | 120.0° |
| C4 | C1 | C2 | H1 | 114.5° | 120.0° |
| C4 | C1 | N3 | H1 | 117.6° | 120.0° |
| C4 | C1 | C2 | N5 | 85.4° | 90.4° |
| C4 | C1 | C2 | O6 | 95.8° | 89.6° |
| C4 | C1 | N3 | S7 | 117.3° | 145.0° |
| C4 | C1 | N3 | HN3 | 120.3° | 34.9° |
| C1 | C4 | C8 | H4 | 121.0° | 120.0° |
| C1 | C4 | C8 | H4A | 121.0° | 120.0° |
| C1 | C4 | H4 | H4A | 116.8° | 120.0° |
| C1 | C4 | C8 | N14 | 87.1° | 180.0° |
| C1 | C4 | C8 | O15 | 93.7° | 0.0° |
| C2 | C1 | N3 | H1 | 114.4° | 120.0° |
| C1 | C2 | N5 | O6 | 178.8° | 180.0° |
| C2 | C1 | N3 | S7 | 114.6° | 95.0° |
| C2 | C1 | N3 | HN3 | 7.7° | 85.1° |
| C2 | C1 | C4 | C8 | 58.0° | 175.2° |
| C2 | C1 | C4 | H4 | 63.1° | 64.8° |
| C2 | C1 | C4 | H4A | 179.0° | 55.2° |
| C1 | C2 | N5 | C21 | 22.6° | 177.5° |
| C1 | C2 | N5 | C9 | 168.6° | 2.7° |
| N3 | C1 | C2 | N5 | 144.5° | 149.6° |
| N3 | C1 | C2 | O6 | 34.3° | 30.4° |
| C1 | N3 | S7 | HN3 | 122.3° | 179.9° |
| N3 | C1 | C4 | C8 | 69.1° | 64.8° |
| N3 | C1 | C4 | H4 | 169.9° | 55.2° |
| N3 | C1 | C4 | H4A | 51.9° | 175.3° |
| C1 | N3 | S7 | O12 | 42.6° | 178.5° |
| C1 | N3 | S7 | C11 | 73.5° | 65.0° |
| C1 | N3 | S7 | O13 | 171.0° | 48.5° |
| H1 | C1 | C2 | N5 | 29.2° | 29.6° |
| H1 | C1 | C2 | O6 | 149.6° | 150.4° |
| H1 | C1 | N3 | S7 | 0.2° | 25.0° |
| H1 | C1 | N3 | HN3 | 122.1° | 154.9° |
| H1 | C1 | C4 | C8 | 172.5° | 55.3° |
| H1 | C1 | C4 | H4 | 51.5° | 175.2° |
| H1 | C1 | C4 | H4A | 66.5° | 64.7° |
| C2 | N5 | C21 | C9 | 170.1° | 179.8° |
| C2 | N5 | C9 | C16 | 130.7° | 126.4° |
| C2 | N5 | C9 | H9 | 108.9° | 6.6° |
| C2 | N5 | C9 | H9A | 10.4° | 113.7° |
| C2 | N5 | C21 | C17 | 101.1° | 6.6° |
| C2 | N5 | C21 | C28 | 132.0° | 126.3° |
| C2 | N5 | C21 | H21 | 15.9° | 113.6° |
| O6 | C2 | N5 | C21 | 158.5° | 2.5° |
| O6 | C2 | N5 | C9 | 10.2° | 177.3° |
| N3 | S7 | O12 | C11 | 116.6° | 114.1° |
| N3 | S7 | O12 | O13 | 121.7° | 122.9° |
| N3 | S7 | C11 | O13 | 115.3° | 113.5° |
| N3 | S7 | C11 | C18 | 104.7° | 89.8° |
| N3 | S7 | C11 | C19 | 76.7° | 90.0° |
| HN3 | N3 | S7 | O12 | 165.0° | 1.6° |
| HN3 | N3 | S7 | C11 | 48.8° | 115.1° |
| HN3 | N3 | S7 | O13 | 66.6° | 131.4° |
| C8 | C4 | H4 | H4A | 116.8° | 120.0° |
| C4 | C8 | N14 | O15 | 179.2° | 180.0° |
| C4 | C8 | N14 | C20 | 179.6° | 180.0° |
| C4 | C8 | N14 | HN14 | 0.4° | 0.0° |
| H4 | C4 | C8 | N14 | 33.9° | 60.0° |
| H4 | C4 | C8 | O15 | 145.3° | 120.0° |
| H4A | C4 | C8 | N14 | 151.8° | 60.1° |
| H4A | C4 | C8 | O15 | 27.4° | 119.9° |
| C21 | N5 | C9 | C16 | 59.7° | 53.9° |
| C21 | N5 | C9 | H9 | 60.7° | 173.7° |
| C21 | N5 | C9 | H9A | 180.0° | 66.1° |
| N5 | C21 | C28 | C10 | 48.4° | 54.6° |
| N5 | C21 | C17 | O23 | 136.5° | 48.8° |
| N5 | C21 | C17 | O24 | 43.2° | 131.2° |
| N5 | C21 | C17 | C28 | 127.1° | 119.3° |
| N5 | C21 | C17 | H21 | 117.5° | 120.3° |
| N5 | C21 | C28 | H21 | 116.7° | 119.9° |
| N5 | C21 | C28 | H28 | 169.1° | 65.2° |
| N5 | C21 | C28 | H28A | 72.2° | 174.5° |
| N5 | C9 | C16 | H9 | 120.4° | 119.7° |
| N5 | C9 | C16 | H9A | 120.4° | 119.9° |
| N5 | C9 | H9 | H9A | 119.0° | 120.2° |
| N5 | C9 | C16 | C10 | 51.6° | 54.7° |
| N5 | C9 | C16 | H16 | 172.1° | 65.3° |
| N5 | C9 | C16 | H16A | 68.9° | 174.6° |
| C9 | N5 | C21 | C17 | 68.9° | 173.7° |
| C9 | N5 | C21 | C28 | 57.9° | 53.9° |
| C9 | N5 | C21 | H21 | 174.0° | 66.1° |
| O12 | S7 | C11 | O13 | 128.3° | 133.0° |
| O12 | S7 | C11 | C18 | 11.7° | 156.8° |
| O12 | S7 | C11 | C19 | 166.8° | 23.5° |
| S7 | C11 | C18 | C19 | 178.5° | 179.7° |
| S7 | C11 | C18 | C25 | 179.1° | 180.0° |
| S7 | C11 | C18 | H18 | 0.9° | 0.0° |
| S7 | C11 | C19 | C26 | 179.1° | 180.0° |
| S7 | C11 | C19 | H19 | 0.8° | 0.0° |
| O13 | S7 | C11 | C18 | 140.0° | 23.8° |
| O13 | S7 | C11 | C19 | 38.5° | 156.5° |
| C8 | N14 | C20 | HN14 | 180.0° | 179.9° |
| C8 | N14 | C20 | C27 | 128.0° | 180.0° |
| C8 | N14 | C20 | H20 | 110.9° | 60.0° |
| C8 | N14 | C20 | H20A | 6.8° | 60.1° |
| O15 | C8 | N14 | C20 | 0.4° | 0.0° |
| O15 | C8 | N14 | HN14 | 179.6° | 180.0° |
| C16 | C9 | H9 | H9A | 118.9° | 120.5° |
| C9 | C16 | C10 | C29 | 166.3° | 58.8° |
| C9 | C16 | C10 | C28 | 42.9° | 61.1° |
| C9 | C16 | C10 | H16 | 120.5° | 120.0° |
| C9 | C16 | C10 | H16A | 120.5° | 120.0° |
| C9 | C16 | C10 | H10 | 76.3° | 178.7° |
| C9 | C16 | H16 | H16A | 118.4° | 120.1° |
| H9 | C9 | C16 | C10 | 68.7° | 174.4° |
| H9 | C9 | C16 | H16 | 51.8° | 54.4° |
| H9 | C9 | C16 | H16A | 170.7° | 65.6° |
| H9A | C9 | C16 | C10 | 172.0° | 65.2° |
| H9A | C9 | C16 | H16 | 67.5° | 174.8° |
| H9A | C9 | C16 | H16A | 51.5° | 54.7° |
| C29 | C10 | C28 | C16 | 123.5° | 119.8° |
| C29 | C10 | C28 | H10 | 117.4° | 120.0° |
| C29 | C10 | C16 | H10 | 117.4° | 119.9° |
| C29 | C10 | C16 | H16 | 73.2° | 178.8° |
| C29 | C10 | C16 | H16A | 45.8° | 61.2° |
| C29 | C10 | C28 | C21 | 164.9° | 58.7° |
| C29 | C10 | C28 | H28 | 74.4° | 178.3° |
| C29 | C10 | C28 | H28A | 44.3° | 61.5° |
| C10 | C29 | H29 | H29A | 120.0° | 120.0° |
| C10 | C29 | H29 | H29B | 120.0° | 120.0° |
| C10 | C29 | H29A | H29B | 120.0° | 119.9° |
| C28 | C10 | C16 | H10 | 119.2° | 120.2° |
| C28 | C10 | C16 | H16 | 163.4° | 58.8° |
| C28 | C10 | C16 | H16A | 77.6° | 178.9° |
| C10 | C28 | C21 | C17 | 79.3° | 174.3° |
| C10 | C28 | C21 | H28 | 120.6° | 119.8° |
| C10 | C28 | C21 | H28A | 120.6° | 120.0° |
| C10 | C28 | C21 | H21 | 165.2° | 65.4° |
| C10 | C28 | H28 | H28A | 118.1° | 120.0° |
| C28 | C10 | C29 | H29 | 180.0° | 60.0° |
| C28 | C10 | C29 | H29A | 60.0° | 180.0° |
| C28 | C10 | C29 | H29B | 60.0° | 60.0° |
| C10 | C16 | H16 | H16A | 118.3° | 120.1° |
| C16 | C10 | C28 | C21 | 41.5° | 61.1° |
| C16 | C10 | C28 | H28 | 162.1° | 58.6° |
| C16 | C10 | C28 | H28A | 79.2° | 178.7° |
| C16 | C10 | C29 | H29 | 54.7° | 179.9° |
| C16 | C10 | C29 | H29A | 65.3° | 59.9° |
| C16 | C10 | C29 | H29B | 174.7° | 60.1° |
| H10 | C10 | C16 | H16 | 44.3° | 61.4° |
| H10 | C10 | C16 | H16A | 163.2° | 58.7° |
| H10 | C10 | C28 | C21 | 77.7° | 178.7° |
| H10 | C10 | C28 | H28 | 42.9° | 61.7° |
| H10 | C10 | C28 | H28A | 161.7° | 58.5° |
| H10 | C10 | C29 | H29 | 62.7° | 60.0° |
| H10 | C10 | C29 | H29A | 177.3° | 60.0° |
| H10 | C10 | C29 | H29B | 57.3° | 180.0° |
| C11 | C18 | C25 | H18 | 180.0° | 180.0° |
| C18 | C11 | C19 | C26 | 0.6° | 0.2° |
| C18 | C11 | C19 | H19 | 179.4° | 179.7° |
| C11 | C18 | C25 | C31 | 179.9° | 180.0° |
| C11 | C18 | C25 | C30 | 0.2° | 0.0° |
| C19 | C11 | C18 | C25 | 0.5° | 0.3° |
| C19 | C11 | C18 | H18 | 179.5° | 179.7° |
| C11 | C19 | C26 | H19 | 180.0° | 179.9° |
| C11 | C19 | C26 | C30 | 0.2° | 0.1° |
| C11 | C19 | C26 | H26 | 179.8° | 180.0° |
| N14 | C20 | C27 | H20 | 121.1° | 120.1° |
| N14 | C20 | C27 | H20A | 121.2° | 120.0° |
| N14 | C20 | H20 | H20A | 116.3° | 120.1° |
| N14 | C20 | C27 | C33 | 43.4° | 175.1° |
| N14 | C20 | C27 | C32 | 79.3° | 65.0° |
| N14 | C20 | C27 | H27 | 162.7° | 55.0° |
| HN14 | N14 | C20 | C27 | 52.0° | 0.1° |
| HN14 | N14 | C20 | H20 | 69.1° | 120.0° |
| HN14 | N14 | C20 | H20A | 173.2° | 120.0° |
| O23 | C17 | O24 | C21 | 179.7° | 180.0° |
| O23 | C17 | C21 | C28 | 9.5° | 70.6° |
| O23 | C17 | C21 | H21 | 106.0° | 169.0° |
| O23 | C17 | O24 | HO24 | 0.0° | 0.0° |
| O24 | C17 | C21 | C28 | 170.2° | 109.5° |
| O24 | C17 | C21 | H21 | 74.3° | 11.0° |
| C17 | C21 | C28 | H21 | 115.5° | 120.3° |
| C21 | C17 | O24 | HO24 | 179.7° | 180.0° |
| C17 | C21 | C28 | H28 | 41.3° | 54.6° |
| C17 | C21 | C28 | H28A | 160.0° | 65.7° |
| C18 | C25 | C31 | C30 | 179.9° | 180.0° |
| C18 | C25 | C30 | C26 | 0.1° | 0.3° |
| C18 | C25 | C30 | C35 | 179.9° | 180.0° |
| C18 | C25 | C31 | C36 | 179.9° | 180.0° |
| C18 | C25 | C31 | H31 | 0.1° | 0.1° |
| H18 | C18 | C25 | C31 | 0.1° | 0.0° |
| H18 | C18 | C25 | C30 | 179.8° | 180.0° |
| C19 | C26 | C30 | C25 | 0.1° | 0.4° |
| C19 | C26 | C30 | H26 | 180.0° | 179.9° |
| C19 | C26 | C30 | C35 | 179.9° | 180.0° |
| H19 | C19 | C26 | C30 | 179.7° | 180.0° |
| H19 | C19 | C26 | H26 | 0.3° | 0.1° |
| C27 | C20 | H20 | H20A | 116.3° | 119.9° |
| C20 | C27 | C33 | C32 | 122.3° | 120.0° |
| C20 | C27 | C33 | H27 | 119.2° | 120.1° |
| C20 | C27 | C32 | H27 | 117.8° | 120.1° |
| C20 | C27 | C32 | N37 | 178.4° | 174.6° |
| C20 | C27 | C32 | H32 | 57.6° | 65.6° |
| C20 | C27 | C32 | H32A | 60.8° | 54.8° |
| C20 | C27 | C33 | C38 | 166.1° | 178.7° |
| C20 | C27 | C33 | H33 | 45.6° | 61.3° |
| C20 | C27 | C33 | H33A | 73.5° | 58.7° |
| H20 | C20 | C27 | C33 | 77.8° | 64.8° |
| H20 | C20 | C27 | C32 | 159.5° | 55.1° |
| H20 | C20 | C27 | H27 | 41.6° | 175.1° |
| H20A | C20 | C27 | C33 | 164.5° | 55.2° |
| H20A | C20 | C27 | C32 | 41.8° | 175.0° |
| H20A | C20 | C27 | H27 | 76.1° | 65.0° |
| C21 | C28 | H28 | H28A | 118.1° | 120.4° |
| H21 | C21 | C28 | H28 | 74.2° | 174.9° |
| H21 | C21 | C28 | H28A | 44.5° | 54.6° |
| C31 | C25 | C30 | C26 | 179.8° | 179.7° |
| C31 | C25 | C30 | C35 | 0.0° | 0.0° |
| C25 | C31 | C36 | H31 | 180.0° | 179.9° |
| C25 | C31 | C36 | C39 | 0.1° | 0.1° |
| C25 | C31 | C36 | H36 | 179.9° | 180.0° |
| C25 | C30 | C26 | C35 | 179.8° | 179.7° |
| C25 | C30 | C26 | H26 | 179.9° | 179.7° |
| C30 | C25 | C31 | C36 | 0.0° | 0.0° |
| C30 | C25 | C31 | H31 | 180.0° | 179.9° |
| C25 | C30 | C35 | C39 | 0.1° | 0.1° |
| C25 | C30 | C35 | H35 | 180.0° | 179.9° |
| C26 | C30 | C35 | C39 | 179.9° | 179.7° |
| C26 | C30 | C35 | H35 | 0.1° | 0.4° |
| H26 | C26 | C30 | C35 | 0.1° | 0.1° |
| C33 | C27 | C32 | H27 | 118.5° | 120.0° |
| C33 | C27 | C32 | N37 | 58.0° | 54.6° |
| C33 | C27 | C32 | H32 | 178.7° | 174.4° |
| C33 | C27 | C32 | H32A | 62.9° | 65.2° |
| C27 | C33 | C38 | H33 | 120.5° | 120.0° |
| C27 | C33 | C38 | H33A | 120.5° | 120.0° |
| C27 | C33 | H33 | H33A | 118.7° | 120.0° |
| C27 | C33 | C38 | C40 | 6.5° | 61.3° |
| C27 | C33 | C38 | H38 | 114.0° | 178.7° |
| C27 | C33 | C38 | H38A | 127.0° | 58.6° |
| C27 | C32 | N37 | H32 | 120.8° | 119.8° |
| C27 | C32 | N37 | H32A | 120.8° | 119.7° |
| C27 | C32 | H32 | H32A | 117.6° | 120.3° |
| C32 | C27 | C33 | C38 | 43.8° | 61.3° |
| C32 | C27 | C33 | H33 | 76.7° | 58.7° |
| C32 | C27 | C33 | H33A | 164.2° | 178.6° |
| C27 | C32 | N37 | C40 | 15.4° | 53.5° |
| C27 | C32 | N37 | C41 | 121.7° | 126.4° |
| H27 | C27 | C32 | N37 | 60.6° | 65.4° |
| H27 | C27 | C32 | H32 | 60.2° | 54.4° |
| H27 | C27 | C32 | H32A | 178.6° | 174.9° |
| H27 | C27 | C33 | C38 | 74.7° | 58.6° |
| H27 | C27 | C33 | H33 | 164.8° | 178.6° |
| H27 | C27 | C33 | H33A | 45.7° | 61.5° |
| H29 | C29 | H29A | H29B | 120.0° | 120.1° |
| C30 | C35 | C39 | H35 | 180.0° | 179.9° |
| C30 | C35 | C39 | C36 | 0.2° | 0.1° |
| C30 | C35 | C39 | H39 | 179.8° | 180.0° |
| C31 | C36 | C39 | C35 | 0.2° | 0.1° |
| C31 | C36 | C39 | H36 | 180.0° | 179.9° |
| C31 | C36 | C39 | H39 | 179.8° | 180.0° |
| H31 | C31 | C36 | C39 | 179.9° | 180.0° |
| H31 | C31 | C36 | H36 | 0.1° | 0.1° |
| N37 | C32 | H32 | H32A | 117.6° | 120.4° |
| C32 | N37 | C40 | C41 | 134.8° | 179.9° |
| C32 | N37 | C40 | C38 | 38.9° | 53.5° |
| C32 | N37 | C40 | H40 | 82.0° | 173.4° |
| C32 | N37 | C40 | H40A | 159.9° | 66.2° |
| C32 | N37 | C41 | N43 | 178.9° | 5.9° |
| C32 | N37 | C41 | N42 | 2.0° | 174.2° |
| H32 | C32 | N37 | C40 | 136.2° | 173.4° |
| H32 | C32 | N37 | C41 | 1.0° | 6.5° |
| H32A | C32 | N37 | C40 | 105.4° | 66.2° |
| H32A | C32 | N37 | C41 | 117.4° | 113.9° |
| C38 | C33 | H33 | H33A | 118.6° | 120.0° |
| C33 | C38 | C40 | N37 | 51.1° | 54.6° |
| C33 | C38 | C40 | H38 | 120.5° | 120.0° |
| C33 | C38 | C40 | H38A | 120.5° | 120.0° |
| C33 | C38 | H38 | H38A | 118.4° | 120.1° |
| C33 | C38 | C40 | H40 | 69.9° | 174.4° |
| C33 | C38 | C40 | H40A | 172.0° | 65.1° |
| H33 | C33 | C38 | C40 | 126.9° | 58.6° |
| H33 | C33 | C38 | H38 | 6.4° | 61.3° |
| H33 | C33 | C38 | H38A | 112.6° | 178.6° |
| H33A | C33 | C38 | C40 | 114.0° | 178.6° |
| H33A | C33 | C38 | H38 | 125.5° | 58.7° |
| H33A | C33 | C38 | H38A | 6.5° | 61.4° |
| C35 | C39 | C36 | H39 | 180.0° | 179.9° |
| C35 | C39 | C36 | H36 | 179.8° | 180.0° |
| H35 | C35 | C39 | C36 | 179.8° | 180.0° |
| H35 | C35 | C39 | H39 | 0.2° | 0.1° |
| H36 | C36 | C39 | H39 | 0.2° | 0.1° |
| N37 | C40 | C38 | H40 | 121.0° | 119.8° |
| N37 | C40 | C38 | H40A | 120.9° | 119.7° |
| N37 | C40 | C38 | H38 | 69.4° | 174.6° |
| N37 | C40 | C38 | H38A | 171.6° | 65.4° |
| N37 | C40 | H40 | H40A | 117.1° | 120.3° |
| C40 | N37 | C41 | N43 | 43.8° | 174.2° |
| C40 | N37 | C41 | N42 | 137.1° | 5.7° |
| C41 | N37 | C40 | C38 | 173.8° | 126.4° |
| C41 | N37 | C40 | H40 | 52.8° | 6.5° |
| C41 | N37 | C40 | H40A | 65.3° | 113.9° |
| N37 | C41 | N43 | N42 | 179.0° | 179.9° |
| N37 | C41 | N42 | HN42 | 179.1° | 5.6° |
| N37 | C41 | N42 | HN4A | 0.9° | 174.5° |
| N37 | C41 | N43 | HN43 | 179.0° | 180.0° |
| C40 | C38 | H38 | H38A | 118.5° | 120.0° |
| C38 | C40 | H40 | H40A | 117.0° | 120.4° |
| H38 | C38 | C40 | H40 | 169.6° | 65.6° |
| H38 | C38 | C40 | H40A | 51.5° | 54.9° |
| H38A | C38 | C40 | H40 | 50.6° | 54.4° |
| H38A | C38 | C40 | H40A | 67.5° | 174.9° |
| N43 | C41 | N42 | HN42 | 0.0° | 174.5° |
| N43 | C41 | N42 | HN4A | 180.0° | 5.5° |
| C41 | N42 | HN42 | HN4A | 180.0° | 180.0° |
| N42 | C41 | N43 | HN43 | 0.0° | 0.0° |
