A1BCX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| O2 | C3 | sing | 1.36Å | 1.37Å | |
| C3 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C11 | C10 | sing | 1.41Å | 1.43Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C9 | C12 | sing | 1.47Å | 1.48Å | |
| C12 | N14 | sing | 1.35Å | 1.34Å | |
| N14 | C15 | sing | 1.47Å | 1.45Å | |
| C15 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | N23 | sing | 1.35Å | 1.34Å | |
| N23 | C24 | sing | 1.47Å | 1.46Å | |
| C24 | C34 | sing | 1.53Å | 1.52Å | |
| C34 | O36 | sing | 1.43Å | 1.42Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C27 | C29 | sing | 1.55Å | 1.54Å | |
| C29 | C30 | sing | 1.54Å | 1.53Å | |
| C30 | N31 | sing | 1.47Å | 1.46Å | |
| N31 | C32 | sing | 1.34Å | 1.33Å | |
| C32 | O33 | doub | 1.21Å | 1.23Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.49Å | |
| C39 | C40 | sing | 1.53Å | 1.49Å | |
| C12 | O13 | doub | 1.22Å | 1.23Å | |
| C9 | N8 | sing | 1.38Å | 1.38Å | Aromatic |
| N8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C11 | sing | 1.41Å | 1.41Å | Aromatic |
| C32 | C27 | sing | 1.51Å | 1.52Å | |
| C40 | C38 | sing | 1.53Å | 1.49Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H170 | sing | 1.09Å | 1.10Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C27 | H24 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H25 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H340 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C39 | H39A | sing | 1.09Å | 1.10Å | |
| C39 | H39B | sing | 1.09Å | 1.10Å | |
| C40 | H40B | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| N23 | H20 | sing | 0.97Å | 1.00Å | |
| N31 | H29 | sing | 0.97Å | 1.00Å | |
| N8 | H7 | sing | 0.97Å | 1.00Å | |
| O36 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | O2 | C3 | 117.4° | 117.0° |
| O2 | C1 | H3 | 109.5° | 109.5° |
| O2 | C1 | H2 | 109.4° | 109.4° |
| O2 | C1 | H1 | 109.4° | 109.5° |
| O2 | C3 | C11 | 115.3° | 120.2° |
| O2 | C3 | C4 | 124.6° | 120.2° |
| C3 | C11 | C10 | 135.4° | 133.3° |
| C11 | C3 | C4 | 120.1° | 119.6° |
| C3 | C11 | C7 | 117.9° | 119.6° |
| C11 | C10 | C9 | 107.6° | 107.8° |
| C10 | C11 | C7 | 106.6° | 107.0° |
| C11 | C10 | H8 | 126.2° | 126.1° |
| C10 | C9 | C12 | 132.1° | 125.5° |
| C10 | C9 | N8 | 109.3° | 109.1° |
| C9 | C10 | H8 | 126.2° | 126.1° |
| C9 | C12 | N14 | 116.3° | 120.0° |
| C9 | C12 | O13 | 120.8° | 120.0° |
| C12 | C9 | N8 | 118.5° | 125.5° |
| C12 | N14 | C15 | 121.6° | 120.0° |
| N14 | C12 | O13 | 122.8° | 120.0° |
| C12 | N14 | H9 | 119.2° | 120.0° |
| N14 | C15 | C21 | 112.3° | 109.4° |
| N14 | C15 | C17 | 111.0° | 109.5° |
| N14 | C15 | H10 | 108.1° | 109.5° |
| C15 | N14 | H9 | 119.2° | 120.0° |
| C15 | C21 | N23 | 116.0° | 120.0° |
| C15 | C21 | O22 | 120.7° | 120.0° |
| C21 | C15 | C17 | 110.8° | 109.5° |
| C21 | C15 | H10 | 107.2° | 109.5° |
| C21 | N23 | C24 | 123.6° | 120.0° |
| N23 | C21 | O22 | 123.3° | 120.1° |
| C21 | N23 | H20 | 118.2° | 120.1° |
| N23 | C24 | C34 | 109.2° | 109.5° |
| N23 | C24 | C26 | 109.5° | 109.5° |
| N23 | C24 | H21 | 109.3° | 109.5° |
| C24 | N23 | H20 | 118.2° | 119.9° |
| C24 | C34 | O36 | 111.5° | 109.5° |
| C34 | C24 | C26 | 111.7° | 109.5° |
| C34 | C24 | H21 | 108.6° | 109.5° |
| C24 | C34 | H34 | 108.9° | 109.4° |
| C24 | C34 | H340 | 108.9° | 109.5° |
| O36 | C34 | H34 | 109.0° | 109.4° |
| O36 | C34 | H340 | 109.0° | 109.5° |
| C34 | O36 | H36 | 109.5° | 114.0° |
| C24 | C26 | C27 | 115.4° | 109.5° |
| C26 | C24 | H21 | 108.4° | 109.4° |
| C24 | C26 | H22 | 108.0° | 109.5° |
| C24 | C26 | H23 | 108.0° | 109.5° |
| C26 | C27 | C29 | 114.6° | 110.5° |
| C26 | C27 | C32 | 112.5° | 110.5° |
| C27 | C26 | H22 | 107.9° | 109.4° |
| C27 | C26 | H23 | 108.0° | 109.4° |
| C26 | C27 | H24 | 109.3° | 110.4° |
| C27 | C29 | C30 | 105.1° | 101.8° |
| C29 | C27 | C32 | 101.3° | 104.2° |
| C29 | C27 | H24 | 109.3° | 110.5° |
| C27 | C29 | H26 | 110.5° | 110.9° |
| C27 | C29 | H25 | 110.6° | 110.9° |
| C29 | C30 | N31 | 103.1° | 105.5° |
| C30 | C29 | H26 | 110.5° | 111.0° |
| C30 | C29 | H25 | 110.6° | 111.0° |
| C29 | C30 | H28 | 111.0° | 110.3° |
| C29 | C30 | H27 | 111.0° | 110.3° |
| C30 | N31 | C32 | 114.0° | 111.3° |
| N31 | C30 | H28 | 111.0° | 110.2° |
| N31 | C30 | H27 | 111.1° | 110.2° |
| C30 | N31 | H29 | 123.0° | 124.4° |
| N31 | C32 | O33 | 126.5° | 125.0° |
| N31 | C32 | C27 | 107.1° | 110.1° |
| C32 | N31 | H29 | 123.0° | 124.3° |
| O33 | C32 | C27 | 126.4° | 124.9° |
| C15 | C17 | C38 | 114.2° | 109.5° |
| C17 | C15 | H10 | 107.2° | 109.5° |
| C15 | C17 | H17 | 108.3° | 109.5° |
| C15 | C17 | H170 | 108.3° | 109.4° |
| C17 | C38 | C39 | 119.6° | 117.5° |
| C17 | C38 | C40 | 119.6° | 117.5° |
| C38 | C17 | H17 | 108.3° | 109.4° |
| C38 | C17 | H170 | 108.3° | 109.5° |
| C17 | C38 | H38 | 115.1° | 115.6° |
| C38 | C39 | C40 | 60.0° | 60.0° |
| C39 | C38 | C40 | 60.0° | 60.0° |
| C39 | C38 | H38 | 115.8° | 117.5° |
| C38 | C39 | H39A | 120.0° | 117.5° |
| C38 | C39 | H39B | 120.0° | 117.5° |
| C39 | C40 | C38 | 60.0° | 60.0° |
| C40 | C39 | H39A | 120.0° | 117.5° |
| C40 | C39 | H39B | 120.0° | 117.5° |
| C39 | C40 | H40B | 120.0° | 117.5° |
| C39 | C40 | H40A | 120.0° | 117.5° |
| C9 | N8 | C7 | 108.6° | 108.7° |
| C9 | N8 | H7 | 125.7° | 125.6° |
| N8 | C7 | C6 | 129.6° | 133.0° |
| N8 | C7 | C11 | 107.8° | 107.4° |
| C7 | N8 | H7 | 125.7° | 125.7° |
| C7 | C6 | C5 | 117.9° | 120.0° |
| C6 | C7 | C11 | 122.5° | 119.6° |
| C7 | C6 | H6 | 121.1° | 120.0° |
| C6 | C5 | C4 | 121.3° | 120.7° |
| C6 | C5 | H5 | 119.3° | 119.6° |
| C5 | C6 | H6 | 121.1° | 120.0° |
| C5 | C4 | C3 | 120.3° | 120.4° |
| C5 | C4 | H4 | 119.8° | 119.8° |
| C4 | C5 | H5 | 119.4° | 119.7° |
| C3 | C4 | H4 | 119.8° | 119.8° |
| C32 | C27 | H24 | 109.6° | 110.6° |
| C40 | C38 | H38 | 115.7° | 117.5° |
| C38 | C40 | H40B | 120.0° | 117.5° |
| C38 | C40 | H40A | 120.0° | 117.5° |
| H17 | C17 | H170 | 109.5° | 109.5° |
| H22 | C26 | H23 | 109.4° | 109.5° |
| H3 | C1 | H2 | 109.5° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.4° |
| H26 | C29 | H25 | 109.5° | 110.9° |
| H28 | C30 | H27 | 109.5° | 110.3° |
| H34 | C34 | H340 | 109.5° | 109.5° |
| H39A | C39 | H39B | 109.4° | 115.5° |
| H40B | C40 | H40A | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | O2 | C3 | C11 | 178.6° | 179.7° |
| C1 | O2 | C3 | C4 | 0.3° | 0.1° |
| O2 | C1 | H3 | H2 | 120.0° | 119.9° |
| O2 | C1 | H3 | H1 | 120.0° | 120.1° |
| O2 | C1 | H2 | H1 | 120.0° | 120.0° |
| O2 | C3 | C11 | C4 | 179.0° | 179.8° |
| O2 | C3 | C11 | C10 | 3.3° | 0.2° |
| O2 | C3 | C4 | C5 | 178.8° | 179.8° |
| O2 | C3 | C11 | C7 | 178.8° | 179.8° |
| O2 | C3 | C4 | H4 | 1.2° | 0.1° |
| C3 | O2 | C1 | H3 | 180.0° | 59.9° |
| C3 | O2 | C1 | H2 | 60.0° | 60.1° |
| C3 | O2 | C1 | H1 | 60.0° | 180.0° |
| C3 | C11 | C10 | C7 | 175.9° | 180.0° |
| C3 | C11 | C10 | C9 | 175.8° | 180.0° |
| C3 | C11 | C7 | N8 | 176.8° | 180.0° |
| C3 | C11 | C7 | C6 | 0.3° | 0.0° |
| C11 | C3 | C4 | C5 | 0.1° | 0.0° |
| C11 | C3 | C4 | H4 | 179.9° | 179.8° |
| C3 | C11 | C10 | H8 | 4.2° | 0.0° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C11 | C10 | C9 | C12 | 177.6° | 180.0° |
| C11 | C10 | C9 | N8 | 0.1° | 0.0° |
| C10 | C11 | C7 | N8 | 0.1° | 0.0° |
| C10 | C11 | C7 | C6 | 177.0° | 180.0° |
| C10 | C11 | C3 | C4 | 175.7° | 180.0° |
| C10 | C9 | C12 | N8 | 177.5° | 180.0° |
| C10 | C9 | C12 | N14 | 12.1° | 180.0° |
| C10 | C9 | C12 | O13 | 166.7° | 0.0° |
| C10 | C9 | N8 | C7 | 0.2° | 0.0° |
| C9 | C10 | C11 | C7 | 0.0° | 0.0° |
| C10 | C9 | N8 | H7 | 179.8° | 180.0° |
| C9 | C12 | N14 | O13 | 178.8° | 180.0° |
| C9 | C12 | N14 | C15 | 179.1° | 180.0° |
| C12 | C9 | N8 | C7 | 177.9° | 180.0° |
| C12 | C9 | C10 | H8 | 2.5° | 0.0° |
| C9 | C12 | N14 | H9 | 1.0° | 0.0° |
| C12 | C9 | N8 | H7 | 2.2° | 0.0° |
| C12 | N14 | C15 | H9 | 180.0° | 180.0° |
| C12 | N14 | C15 | C21 | 56.7° | 155.0° |
| C12 | N14 | C15 | C17 | 178.7° | 85.0° |
| N14 | C12 | C9 | N8 | 170.4° | 0.0° |
| C12 | N14 | C15 | H10 | 61.4° | 35.0° |
| N14 | C15 | C21 | C17 | 124.7° | 120.0° |
| N14 | C15 | C21 | H10 | 118.7° | 120.0° |
| N14 | C15 | C21 | N23 | 136.3° | 180.0° |
| N14 | C15 | C21 | O22 | 43.6° | 0.0° |
| N14 | C15 | C17 | H10 | 117.9° | 120.1° |
| N14 | C15 | C17 | C38 | 112.7° | 65.0° |
| C15 | N14 | C12 | O13 | 0.3° | 0.0° |
| N14 | C15 | C17 | H17 | 8.0° | 55.0° |
| N14 | C15 | C17 | H170 | 126.6° | 175.0° |
| C15 | C21 | N23 | O22 | 179.9° | 180.0° |
| C15 | C21 | N23 | C24 | 178.0° | 180.0° |
| C21 | C15 | C17 | H10 | 116.6° | 120.0° |
| C21 | C15 | C17 | C38 | 121.8° | 175.0° |
| C21 | C15 | C17 | H17 | 117.5° | 65.0° |
| C21 | C15 | C17 | H170 | 1.1° | 55.0° |
| C21 | C15 | N14 | H9 | 123.3° | 25.0° |
| C15 | C21 | N23 | H20 | 2.1° | 0.0° |
| C21 | N23 | C24 | H20 | 180.0° | 180.0° |
| C21 | N23 | C24 | C34 | 129.0° | 85.0° |
| C21 | N23 | C24 | C26 | 108.3° | 155.0° |
| N23 | C21 | C15 | C17 | 99.0° | 60.0° |
| N23 | C21 | C15 | H10 | 17.6° | 60.0° |
| C21 | N23 | C24 | H21 | 10.3° | 35.0° |
| N23 | C24 | C34 | C26 | 121.3° | 120.0° |
| N23 | C24 | C34 | H21 | 119.2° | 120.0° |
| N23 | C24 | C34 | O36 | 172.0° | 65.0° |
| N23 | C24 | C26 | H21 | 119.2° | 120.0° |
| N23 | C24 | C26 | C27 | 118.2° | 65.0° |
| C24 | N23 | C21 | O22 | 1.9° | 0.0° |
| N23 | C24 | C26 | H22 | 2.7° | 55.0° |
| N23 | C24 | C26 | H23 | 120.9° | 175.0° |
| N23 | C24 | C34 | H34 | 67.7° | 54.9° |
| N23 | C24 | C34 | H340 | 51.6° | 175.0° |
| C24 | C34 | O36 | H34 | 120.3° | 119.9° |
| C24 | C34 | O36 | H340 | 120.3° | 120.0° |
| C34 | C24 | C26 | H21 | 119.6° | 119.9° |
| C34 | C24 | C26 | C27 | 120.7° | 175.0° |
| C34 | C24 | C26 | H22 | 118.5° | 65.1° |
| C34 | C24 | C26 | H23 | 0.2° | 55.0° |
| C24 | C34 | H34 | H340 | 119.0° | 120.0° |
| C34 | C24 | N23 | H20 | 51.0° | 95.0° |
| C24 | C34 | O36 | H36 | 180.0° | 179.9° |
| O36 | C34 | C24 | C26 | 66.7° | 55.1° |
| O36 | C34 | C24 | H21 | 52.8° | 175.0° |
| O36 | C34 | H34 | H340 | 119.1° | 120.0° |
| C24 | C26 | C27 | H22 | 120.9° | 120.0° |
| C24 | C26 | C27 | H23 | 120.9° | 120.0° |
| C24 | C26 | C27 | C29 | 35.6° | 175.0° |
| C24 | C26 | C27 | C32 | 150.5° | 70.2° |
| C24 | C26 | H22 | H23 | 117.3° | 120.1° |
| C24 | C26 | C27 | H24 | 87.5° | 52.4° |
| C26 | C24 | C34 | H34 | 53.6° | 175.0° |
| C26 | C24 | C34 | H340 | 172.9° | 65.0° |
| C26 | C24 | N23 | H20 | 71.7° | 25.0° |
| C26 | C27 | C29 | C32 | 121.3° | 118.7° |
| C26 | C27 | C29 | H24 | 123.1° | 122.5° |
| C26 | C27 | C29 | C30 | 148.6° | 93.9° |
| C26 | C27 | C32 | N31 | 153.2° | 102.5° |
| C26 | C27 | C32 | O33 | 25.5° | 77.5° |
| C26 | C27 | C32 | H24 | 121.8° | 122.5° |
| C27 | C26 | C24 | H21 | 1.0° | 55.0° |
| C27 | C26 | H22 | H23 | 117.3° | 119.9° |
| C26 | C27 | C29 | H26 | 92.2° | 148.0° |
| C26 | C27 | C29 | H25 | 29.2° | 24.3° |
| C27 | C29 | C30 | H26 | 119.3° | 118.1° |
| C27 | C29 | C30 | H25 | 119.3° | 118.1° |
| C27 | C29 | C30 | N31 | 15.6° | 25.4° |
| C29 | C27 | C32 | N31 | 30.4° | 16.2° |
| C29 | C27 | C32 | O33 | 148.3° | 163.7° |
| C29 | C27 | C32 | H24 | 115.4° | 118.8° |
| C29 | C27 | C26 | H22 | 85.3° | 55.0° |
| C29 | C27 | C26 | H23 | 156.5° | 65.0° |
| C27 | C29 | H26 | H25 | 122.0° | 123.8° |
| C27 | C29 | C30 | H28 | 103.3° | 144.4° |
| C27 | C29 | C30 | H27 | 134.6° | 93.6° |
| C29 | C30 | N31 | H28 | 119.0° | 119.0° |
| C29 | C30 | N31 | H27 | 119.0° | 119.0° |
| C29 | C30 | N31 | C32 | 4.0° | 17.0° |
| C30 | C29 | C27 | C32 | 27.3° | 24.8° |
| C30 | C29 | C27 | H24 | 88.4° | 143.6° |
| C30 | C29 | H26 | H25 | 122.0° | 123.9° |
| C29 | C30 | H28 | H27 | 122.9° | 122.0° |
| C29 | C30 | N31 | H29 | 176.0° | 163.0° |
| C30 | N31 | C32 | H29 | 180.0° | 180.0° |
| C30 | N31 | C32 | O33 | 156.2° | 179.6° |
| C30 | N31 | C32 | C27 | 22.5° | 0.4° |
| N31 | C30 | C29 | H26 | 134.9° | 92.7° |
| N31 | C30 | C29 | H25 | 103.7° | 143.5° |
| N31 | C30 | H28 | H27 | 123.0° | 122.0° |
| N31 | C32 | O33 | C27 | 178.4° | 180.0° |
| N31 | C32 | C27 | H24 | 85.0° | 135.0° |
| C32 | N31 | C30 | H28 | 123.0° | 136.1° |
| C32 | N31 | C30 | H27 | 114.9° | 102.0° |
| O33 | C32 | C27 | H24 | 96.4° | 45.0° |
| O33 | C32 | N31 | H29 | 23.9° | 0.4° |
| O22 | C21 | C15 | C17 | 81.1° | 120.0° |
| O22 | C21 | C15 | H10 | 162.2° | 120.0° |
| O22 | C21 | N23 | H20 | 178.1° | 180.0° |
| C15 | C17 | C38 | H17 | 120.7° | 120.0° |
| C15 | C17 | C38 | H170 | 120.7° | 120.0° |
| C15 | C17 | C38 | C39 | 120.1° | 175.0° |
| C15 | C17 | C38 | C40 | 49.9° | 116.4° |
| C15 | C17 | H17 | H170 | 117.8° | 120.0° |
| C15 | C17 | C38 | H38 | 95.0° | 29.3° |
| C17 | C15 | N14 | H9 | 1.3° | 95.0° |
| C17 | C38 | C39 | C40 | 109.1° | 107.5° |
| C17 | C38 | C39 | H38 | 144.7° | 145.0° |
| C17 | C38 | C40 | H38 | 144.6° | 145.0° |
| C38 | C17 | C15 | H10 | 5.2° | 55.0° |
| C38 | C17 | H17 | H170 | 117.9° | 120.0° |
| C17 | C38 | C39 | H39A | 0.4° | 0.0° |
| C17 | C38 | C39 | H39B | 141.4° | 145.0° |
| C17 | C38 | C40 | H40B | 0.3° | 145.0° |
| C17 | C38 | C40 | H40A | 141.3° | 0.0° |
| C38 | C39 | C40 | H39A | 109.5° | 107.4° |
| C38 | C39 | C40 | H39B | 109.5° | 107.5° |
| C39 | C38 | C40 | H38 | 106.2° | 107.4° |
| C39 | C38 | C17 | H17 | 0.6° | 65.0° |
| C39 | C38 | C17 | H170 | 119.3° | 55.0° |
| C38 | C39 | H39A | H39B | 144.7° | 145.6° |
| C39 | C38 | C40 | H40B | 109.5° | 107.5° |
| C39 | C38 | C40 | H40A | 109.5° | 107.5° |
| C40 | C39 | H39A | H39B | 144.7° | 145.8° |
| C39 | C40 | H40B | H40A | 144.8° | 145.7° |
| O13 | C12 | C9 | N8 | 10.8° | 180.0° |
| O13 | C12 | N14 | H9 | 179.7° | 180.0° |
| C9 | N8 | C7 | H7 | 180.0° | 180.0° |
| C9 | N8 | C7 | C6 | 176.7° | 180.0° |
| C9 | N8 | C7 | C11 | 0.2° | 0.0° |
| N8 | C9 | C10 | H8 | 179.9° | 180.0° |
| N8 | C7 | C6 | C11 | 176.5° | 180.0° |
| N8 | C7 | C6 | C5 | 176.2° | 180.0° |
| N8 | C7 | C6 | H6 | 3.8° | 0.0° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.1° | 0.0° |
| C7 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C7 | N8 | H7 | 3.3° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.1° | 0.0° |
| C5 | C6 | C7 | C11 | 0.3° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 179.7° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C4 | C3 | C11 | C7 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 180.0° | 180.0° |
| C11 | C7 | C6 | H6 | 179.7° | 180.0° |
| C7 | C11 | C10 | H8 | 180.0° | 180.0° |
| C11 | C7 | N8 | H7 | 179.8° | 180.0° |
| C32 | C27 | C26 | H22 | 29.6° | 169.8° |
| C32 | C27 | C26 | H23 | 88.6° | 49.8° |
| C32 | C27 | C29 | H26 | 146.5° | 93.3° |
| C32 | C27 | C29 | H25 | 92.1° | 142.9° |
| C27 | C32 | N31 | H29 | 157.5° | 179.6° |
| C40 | C38 | C17 | H17 | 70.8° | 3.6° |
| C40 | C38 | C17 | H170 | 170.5° | 123.6° |
| C38 | C40 | H40B | H40A | 144.7° | 145.7° |
| H4 | C4 | C5 | H5 | 0.0° | 0.2° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| H10 | C15 | C17 | H17 | 125.9° | 175.0° |
| H10 | C15 | C17 | H170 | 115.5° | 65.0° |
| H10 | C15 | N14 | H9 | 118.6° | 145.0° |
| H17 | C17 | C38 | H38 | 144.3° | 149.3° |
| H170 | C17 | C38 | H38 | 25.7° | 90.6° |
| H21 | C24 | C26 | H22 | 121.9° | 175.0° |
| H21 | C24 | C26 | H23 | 119.8° | 65.0° |
| H21 | C24 | C34 | H34 | 173.1° | 65.1° |
| H21 | C24 | C34 | H340 | 67.5° | 55.0° |
| H21 | C24 | N23 | H20 | 169.7° | 145.0° |
| H22 | C26 | C27 | H24 | 151.7° | 67.6° |
| H23 | C26 | C27 | H24 | 33.4° | 172.4° |
| H3 | C1 | H2 | H1 | 120.0° | 120.0° |
| H24 | C27 | C29 | H26 | 30.9° | 25.5° |
| H24 | C27 | C29 | H25 | 152.3° | 98.3° |
| H26 | C29 | C30 | H28 | 15.9° | 26.3° |
| H26 | C29 | C30 | H27 | 106.1° | 148.3° |
| H25 | C29 | C30 | H28 | 137.3° | 97.5° |
| H25 | C29 | C30 | H27 | 15.3° | 24.5° |
| H28 | C30 | N31 | H29 | 57.0° | 44.0° |
| H27 | C30 | N31 | H29 | 65.1° | 78.0° |
| H34 | C34 | O36 | H36 | 59.7° | 60.0° |
| H340 | C34 | O36 | H36 | 59.7° | 60.1° |
| H38 | C38 | C39 | H39A | 144.4° | 145.0° |
| H38 | C38 | C39 | H39B | 3.3° | 0.1° |
| H38 | C38 | C40 | H40B | 144.4° | 0.1° |
| H38 | C38 | C40 | H40A | 3.3° | 145.0° |
| H39A | C39 | C40 | H40B | 0.0° | 145.0° |
| H39A | C39 | C40 | H40A | 141.1° | 0.1° |
| H39B | C39 | C40 | H40B | 141.0° | 0.0° |
| H39B | C39 | C40 | H40A | 0.1° | 145.0° |
