3GO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C28 | C25 | sing | 1.36Å | 1.39Å | Aromatic |
| C35 | C40 | sing | 1.41Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.42Å | 1.39Å | Aromatic |
| C40 | C39 | doub | 1.37Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | N37 | doub | 1.31Å | 1.35Å | Aromatic |
| N37 | C36 | sing | 1.34Å | 1.36Å | Aromatic |
| C36 | C27 | doub | 1.41Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.36Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| C24 | N23 | sing | 1.47Å | 1.49Å | |
| N23 | C6 | sing | 1.38Å | 1.34Å | |
| C6 | N7 | doub | 1.31Å | 1.34Å | Aromatic |
| C6 | N5 | sing | 1.37Å | 1.35Å | Aromatic |
| N7 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| C8 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | N10 | sing | 1.39Å | 1.34Å | |
| C4 | N1 | sing | 1.33Å | 1.38Å | Aromatic |
| N1 | C2 | doub | 1.32Å | 1.39Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N3 | C9 | doub | 1.33Å | 1.35Å | Aromatic |
| C9 | N5 | sing | 1.38Å | 1.32Å | Aromatic |
| N5 | C11 | sing | 1.46Å | 1.48Å | |
| C11 | O12 | sing | 1.44Å | 1.43Å | |
| C11 | C31 | sing | 1.54Å | 1.51Å | |
| O12 | C13 | sing | 1.44Å | 1.50Å | |
| C31 | O34 | sing | 1.43Å | 1.44Å | |
| C31 | C32 | sing | 1.55Å | 1.51Å | |
| C32 | O33 | sing | 1.43Å | 1.42Å | |
| C32 | C13 | sing | 1.55Å | 1.55Å | |
| C13 | C14 | sing | 1.53Å | 1.50Å | |
| C14 | O15 | sing | 1.43Å | 1.43Å | |
| O15 | C16 | sing | 1.43Å | 1.35Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C29 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.40Å | 1.39Å | Aromatic |
| C29 | N30 | trip | 1.14Å | 1.14Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| N10 | HN1A | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C35 | C28 | C25 | 120.2° | 119.6° |
| C28 | C35 | C40 | 120.3° | 121.4° |
| C28 | C35 | C36 | 120.1° | 119.6° |
| C35 | C28 | H28 | 119.9° | 120.2° |
| C28 | C25 | C26 | 119.9° | 120.9° |
| C28 | C25 | C24 | 120.2° | 119.5° |
| C25 | C28 | H28 | 119.9° | 120.2° |
| C40 | C35 | C36 | 119.6° | 119.0° |
| C35 | C40 | C39 | 119.2° | 118.2° |
| C35 | C40 | H40 | 120.4° | 121.0° |
| C35 | C36 | N37 | 120.2° | 119.8° |
| C35 | C36 | C27 | 119.8° | 119.1° |
| C40 | C39 | C38 | 119.4° | 119.9° |
| C39 | C40 | H40 | 120.4° | 120.9° |
| C40 | C39 | H39 | 120.3° | 120.0° |
| C39 | C38 | N37 | 120.6° | 121.8° |
| C38 | C39 | H39 | 120.3° | 120.0° |
| C39 | C38 | H38 | 119.7° | 119.1° |
| C38 | N37 | C36 | 120.9° | 121.3° |
| N37 | C38 | H38 | 119.7° | 119.1° |
| N37 | C36 | C27 | 120.0° | 121.1° |
| C36 | C27 | C26 | 120.0° | 119.8° |
| C36 | C27 | H27 | 120.0° | 120.1° |
| C27 | C26 | C25 | 120.0° | 121.1° |
| C26 | C27 | H27 | 120.0° | 120.1° |
| C27 | C26 | H26 | 120.0° | 119.4° |
| C26 | C25 | C24 | 120.0° | 119.6° |
| C25 | C26 | H26 | 120.0° | 119.5° |
| C25 | C24 | N23 | 110.0° | 109.5° |
| C25 | C24 | H24 | 109.3° | 109.5° |
| C25 | C24 | H24A | 109.2° | 109.5° |
| C24 | N23 | C6 | 120.2° | 120.0° |
| N23 | C24 | H24 | 109.3° | 109.4° |
| N23 | C24 | H24A | 109.2° | 109.4° |
| C24 | N23 | HN23 | 106.1° | 120.0° |
| N23 | C6 | N7 | 125.7° | 125.1° |
| N23 | C6 | N5 | 126.1° | 125.2° |
| C6 | N23 | HN23 | 106.1° | 120.0° |
| N7 | C6 | N5 | 108.2° | 109.8° |
| C6 | N7 | C8 | 108.0° | 109.4° |
| C6 | N5 | C9 | 108.2° | 107.4° |
| C6 | N5 | C11 | 126.4° | 126.2° |
| N7 | C8 | C4 | 132.5° | 134.6° |
| N7 | C8 | C9 | 107.8° | 107.3° |
| C4 | C8 | C9 | 119.6° | 118.2° |
| C8 | C4 | N10 | 120.5° | 120.7° |
| C8 | C4 | N1 | 119.2° | 118.5° |
| C8 | C9 | N3 | 120.4° | 119.1° |
| C8 | C9 | N5 | 107.7° | 106.2° |
| N10 | C4 | N1 | 120.4° | 120.8° |
| C4 | N10 | HN10 | 109.5° | 120.0° |
| C4 | N10 | HN1A | 109.4° | 120.0° |
| C4 | N1 | C2 | 119.6° | 121.1° |
| N1 | C2 | N3 | 120.4° | 122.4° |
| N1 | C2 | H2 | 119.8° | 118.8° |
| C2 | N3 | C9 | 120.8° | 120.6° |
| N3 | C2 | H2 | 119.8° | 118.8° |
| N3 | C9 | N5 | 131.9° | 134.7° |
| C9 | N5 | C11 | 125.4° | 126.3° |
| N5 | C11 | O12 | 109.0° | 110.4° |
| N5 | C11 | C31 | 109.9° | 110.4° |
| N5 | C11 | H11 | 107.8° | 110.4° |
| O12 | C11 | C31 | 103.8° | 104.8° |
| C11 | O12 | C13 | 105.5° | 105.3° |
| O12 | C11 | H11 | 113.5° | 110.3° |
| C11 | C31 | O34 | 110.2° | 110.5° |
| C11 | C31 | C32 | 102.8° | 104.1° |
| C31 | C11 | H11 | 112.7° | 110.4° |
| C11 | C31 | H31 | 113.5° | 110.5° |
| O12 | C13 | C32 | 105.5° | 104.8° |
| O12 | C13 | C14 | 108.1° | 110.4° |
| O12 | C13 | H13 | 112.8° | 110.4° |
| O34 | C31 | C32 | 110.1° | 110.5° |
| O34 | C31 | H31 | 106.7° | 110.4° |
| C31 | O34 | HO34 | 109.5° | 114.1° |
| C31 | C32 | O33 | 109.8° | 110.5° |
| C31 | C32 | C13 | 103.8° | 104.0° |
| C32 | C31 | H31 | 113.6° | 110.6° |
| C31 | C32 | H32 | 112.9° | 110.5° |
| O33 | C32 | C13 | 109.4° | 110.5° |
| O33 | C32 | H32 | 107.6° | 110.5° |
| C32 | O33 | HO33 | 109.5° | 114.0° |
| C32 | C13 | C14 | 109.1° | 110.4° |
| C13 | C32 | H32 | 113.3° | 110.6° |
| C32 | C13 | H13 | 111.8° | 110.3° |
| C13 | C14 | O15 | 108.4° | 109.4° |
| C14 | C13 | H13 | 109.4° | 110.4° |
| C13 | C14 | H14 | 109.8° | 109.5° |
| C13 | C14 | H14A | 110.1° | 109.5° |
| C14 | O15 | C16 | 109.9° | 114.0° |
| O15 | C14 | H14 | 109.9° | 109.5° |
| O15 | C14 | H14A | 110.1° | 109.4° |
| O15 | C16 | C17 | 120.0° | 109.5° |
| O15 | C16 | H16 | 106.1° | 109.5° |
| O15 | C16 | H16A | 103.6° | 109.5° |
| C16 | C17 | C18 | 120.0° | 119.8° |
| C16 | C17 | C22 | 119.8° | 119.9° |
| C17 | C16 | H16 | 106.1° | 109.5° |
| C17 | C16 | H16A | 103.7° | 109.4° |
| C18 | C17 | C22 | 120.2° | 120.3° |
| C17 | C18 | C19 | 119.9° | 120.1° |
| C17 | C18 | H18 | 120.0° | 119.9° |
| C17 | C22 | C21 | 120.1° | 120.2° |
| C17 | C22 | H22 | 119.9° | 119.9° |
| C18 | C19 | C20 | 119.9° | 119.9° |
| C19 | C18 | H18 | 120.0° | 119.9° |
| C18 | C19 | H19 | 120.0° | 120.1° |
| C19 | C20 | C29 | 120.1° | 120.2° |
| C19 | C20 | C21 | 120.0° | 119.7° |
| C20 | C19 | H19 | 120.1° | 120.1° |
| C29 | C20 | C21 | 119.9° | 120.2° |
| C20 | C29 | N30 | 179.6° | 179.9° |
| C20 | C21 | C22 | 119.8° | 119.9° |
| C20 | C21 | H21 | 120.1° | 120.1° |
| C22 | C21 | H21 | 120.1° | 120.1° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| H24 | C24 | H24A | 109.9° | 109.5° |
| HN10 | N10 | HN1A | 109.5° | 120.0° |
| H14 | C14 | H14A | 108.6° | 109.5° |
| H16 | C16 | H16A | 118.1° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C35 | C28 | C25 | H28 | 180.0° | 179.7° |
| C28 | C35 | C40 | C36 | 179.8° | 180.0° |
| C28 | C35 | C40 | C39 | 179.7° | 180.0° |
| C28 | C35 | C36 | N37 | 179.9° | 180.0° |
| C28 | C35 | C36 | C27 | 0.2° | 0.0° |
| C35 | C28 | C25 | C26 | 0.5° | 0.0° |
| C35 | C28 | C25 | C24 | 179.8° | 180.0° |
| C28 | C35 | C40 | H40 | 0.3° | 0.1° |
| C25 | C28 | C35 | C40 | 179.7° | 180.0° |
| C25 | C28 | C35 | C36 | 0.1° | 0.0° |
| C28 | C25 | C26 | C27 | 0.5° | 0.1° |
| C28 | C25 | C26 | C24 | 179.4° | 180.0° |
| C28 | C25 | C24 | N23 | 22.6° | 90.0° |
| C28 | C25 | C26 | H26 | 179.5° | 179.9° |
| C28 | C25 | C24 | H24 | 97.4° | 150.0° |
| C28 | C25 | C24 | H24A | 142.3° | 29.9° |
| C35 | C40 | C39 | H40 | 180.0° | 180.0° |
| C35 | C40 | C39 | C38 | 0.4° | 0.1° |
| C40 | C35 | C36 | N37 | 0.3° | 0.1° |
| C40 | C35 | C36 | C27 | 180.0° | 180.0° |
| C40 | C35 | C28 | H28 | 0.3° | 0.2° |
| C35 | C40 | C39 | H39 | 179.6° | 180.0° |
| C36 | C35 | C40 | C39 | 0.1° | 0.0° |
| C35 | C36 | N37 | C38 | 0.3° | 0.1° |
| C35 | C36 | N37 | C27 | 179.7° | 179.9° |
| C35 | C36 | C27 | C26 | 0.2° | 0.0° |
| C36 | C35 | C28 | H28 | 179.9° | 179.7° |
| C36 | C35 | C40 | H40 | 179.9° | 180.0° |
| C35 | C36 | C27 | H27 | 179.8° | 179.9° |
| C40 | C39 | C38 | H39 | 180.0° | 179.9° |
| C40 | C39 | C38 | N37 | 0.4° | 0.1° |
| C40 | C39 | C38 | H38 | 179.6° | 179.9° |
| C39 | C38 | N37 | H38 | 180.0° | 179.9° |
| C39 | C38 | N37 | C36 | 0.1° | 0.1° |
| C38 | C39 | C40 | H40 | 179.6° | 180.0° |
| C38 | N37 | C36 | C27 | 180.0° | 179.9° |
| N37 | C38 | C39 | H39 | 179.6° | 180.0° |
| N37 | C36 | C27 | C26 | 179.9° | 179.9° |
| C36 | N37 | C38 | H38 | 179.9° | 179.9° |
| N37 | C36 | C27 | H27 | 0.1° | 0.0° |
| C36 | C27 | C26 | H27 | 180.0° | 179.9° |
| C36 | C27 | C26 | C25 | 0.1° | 0.1° |
| C36 | C27 | C26 | H26 | 179.8° | 179.9° |
| C27 | C26 | C25 | H26 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 179.9° | 179.9° |
| C26 | C25 | C24 | N23 | 158.1° | 90.0° |
| C26 | C25 | C28 | H28 | 179.6° | 179.8° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C24 | H24 | 81.9° | 30.0° |
| C26 | C25 | C24 | H24A | 38.3° | 150.1° |
| C25 | C24 | N23 | H24 | 120.0° | 120.0° |
| C25 | C24 | N23 | H24A | 119.8° | 120.0° |
| C25 | C24 | N23 | C6 | 96.8° | 180.0° |
| C24 | C25 | C28 | H28 | 0.2° | 0.2° |
| C24 | C25 | C26 | H26 | 0.1° | 0.0° |
| C25 | C24 | H24 | H24A | 119.8° | 120.1° |
| C25 | C24 | N23 | HN23 | 23.2° | 0.1° |
| C24 | N23 | C6 | HN23 | 120.0° | 179.9° |
| C24 | N23 | C6 | N7 | 2.5° | 0.0° |
| C24 | N23 | C6 | N5 | 177.6° | 179.7° |
| N23 | C24 | H24 | H24A | 119.8° | 120.0° |
| N23 | C6 | N7 | N5 | 179.9° | 179.7° |
| N23 | C6 | N7 | C8 | 179.8° | 180.0° |
| N23 | C6 | N5 | C9 | 179.4° | 179.9° |
| N23 | C6 | N5 | C11 | 0.5° | 0.0° |
| C6 | N23 | C24 | H24 | 143.2° | 60.0° |
| C6 | N23 | C24 | H24A | 23.0° | 60.0° |
| C6 | N7 | C8 | C4 | 179.2° | 180.0° |
| C6 | N7 | C8 | C9 | 0.2° | 0.0° |
| N7 | C6 | N5 | C9 | 0.6° | 0.4° |
| N7 | C6 | N5 | C11 | 179.6° | 179.7° |
| N7 | C6 | N23 | HN23 | 117.5° | 179.9° |
| N5 | C6 | N7 | C8 | 0.2° | 0.3° |
| C6 | N5 | C9 | C8 | 0.8° | 0.4° |
| C6 | N5 | C9 | N3 | 179.6° | 179.9° |
| C6 | N5 | C9 | C11 | 179.0° | 179.8° |
| C6 | N5 | C11 | O12 | 53.3° | 136.5° |
| C6 | N5 | C11 | C31 | 59.9° | 108.1° |
| N5 | C6 | N23 | HN23 | 62.4° | 0.2° |
| C6 | N5 | C11 | H11 | 176.9° | 14.3° |
| N7 | C8 | C4 | C9 | 179.4° | 179.9° |
| N7 | C8 | C4 | N10 | 0.4° | 0.1° |
| N7 | C8 | C4 | N1 | 180.0° | 180.0° |
| N7 | C8 | C9 | N3 | 179.7° | 180.0° |
| N7 | C8 | C9 | N5 | 0.6° | 0.2° |
| C8 | C4 | N10 | N1 | 179.6° | 179.9° |
| C8 | C4 | N1 | C2 | 0.2° | 0.1° |
| C4 | C8 | C9 | N3 | 0.8° | 0.0° |
| C4 | C8 | C9 | N5 | 178.9° | 179.7° |
| C8 | C4 | N10 | HN10 | 141.4° | 0.1° |
| C8 | C4 | N10 | HN1A | 21.4° | 180.0° |
| C9 | C8 | C4 | N10 | 179.8° | 180.0° |
| C9 | C8 | C4 | N1 | 0.6° | 0.1° |
| C8 | C9 | N3 | C2 | 0.6° | 0.0° |
| C8 | C9 | N3 | N5 | 179.6° | 179.7° |
| C8 | C9 | N5 | C11 | 179.7° | 179.8° |
| N10 | C4 | N1 | C2 | 179.8° | 180.0° |
| C4 | N10 | HN10 | HN1A | 120.0° | 180.0° |
| C4 | N1 | C2 | N3 | 0.1° | 0.0° |
| N1 | C4 | N10 | HN10 | 38.2° | 180.0° |
| N1 | C4 | N10 | HN1A | 158.2° | 0.0° |
| C4 | N1 | C2 | H2 | 179.9° | 179.9° |
| N1 | C2 | N3 | H2 | 180.0° | 180.0° |
| N1 | C2 | N3 | C9 | 0.1° | 0.0° |
| C2 | N3 | C9 | N5 | 179.1° | 179.7° |
| N3 | C9 | N5 | C11 | 0.6° | 0.1° |
| C9 | N3 | C2 | H2 | 179.9° | 179.9° |
| C9 | N5 | C11 | O12 | 125.5° | 43.7° |
| C9 | N5 | C11 | C31 | 121.3° | 71.7° |
| C9 | N5 | C11 | H11 | 1.9° | 165.9° |
| N5 | C11 | O12 | C31 | 117.1° | 118.9° |
| N5 | C11 | O12 | H11 | 120.2° | 122.3° |
| N5 | C11 | C31 | H11 | 120.3° | 122.4° |
| N5 | C11 | O12 | C13 | 156.8° | 159.3° |
| N5 | C11 | C31 | O34 | 82.8° | 98.5° |
| N5 | C11 | C31 | C32 | 159.9° | 142.8° |
| N5 | C11 | C31 | H31 | 36.7° | 24.0° |
| O12 | C11 | C31 | H11 | 123.2° | 118.8° |
| O12 | C11 | C31 | O34 | 160.7° | 142.6° |
| O12 | C11 | C31 | C32 | 43.4° | 23.9° |
| C11 | O12 | C13 | C32 | 20.6° | 40.5° |
| C11 | O12 | C13 | C14 | 137.2° | 159.3° |
| O12 | C11 | C31 | H31 | 79.8° | 94.8° |
| C11 | O12 | C13 | H13 | 101.8° | 78.3° |
| C31 | C11 | O12 | C13 | 39.6° | 40.5° |
| C11 | C31 | O34 | C32 | 112.6° | 114.7° |
| C11 | C31 | O34 | H31 | 123.6° | 122.6° |
| C11 | C31 | C32 | H31 | 123.1° | 118.7° |
| C11 | C31 | C32 | O33 | 87.6° | 118.7° |
| C11 | C31 | C32 | C13 | 29.3° | 0.0° |
| C11 | C31 | O34 | HO34 | 14.2° | 180.0° |
| C11 | C31 | C32 | H32 | 152.4° | 118.7° |
| O12 | C13 | C32 | C31 | 6.3° | 24.0° |
| O12 | C13 | C32 | O33 | 110.8° | 142.6° |
| O12 | C13 | C32 | C14 | 115.9° | 118.9° |
| O12 | C13 | C32 | H13 | 123.0° | 118.8° |
| O12 | C13 | C14 | H13 | 123.1° | 122.3° |
| O12 | C13 | C14 | O15 | 44.0° | 66.4° |
| C13 | O12 | C11 | H11 | 83.1° | 78.4° |
| O12 | C13 | C32 | H32 | 129.1° | 94.7° |
| O12 | C13 | C14 | H14 | 76.0° | 173.5° |
| O12 | C13 | C14 | H14A | 164.4° | 53.5° |
| O34 | C31 | C32 | H31 | 119.6° | 122.6° |
| O34 | C31 | C32 | O33 | 29.8° | 0.0° |
| O34 | C31 | C32 | C13 | 146.6° | 118.7° |
| O34 | C31 | C11 | H11 | 37.5° | 23.8° |
| O34 | C31 | C32 | H32 | 90.3° | 122.6° |
| C31 | C32 | O33 | C13 | 113.3° | 114.6° |
| C31 | C32 | O33 | H32 | 123.2° | 122.7° |
| C31 | C32 | C13 | H32 | 122.8° | 118.7° |
| C31 | C32 | C13 | C14 | 109.6° | 142.8° |
| C32 | C31 | C11 | H11 | 79.8° | 94.9° |
| C32 | C31 | O34 | HO34 | 126.8° | 65.3° |
| C31 | C32 | O33 | HO33 | 122.8° | 61.5° |
| C31 | C32 | C13 | H13 | 129.3° | 94.9° |
| O33 | C32 | C13 | H32 | 120.0° | 122.7° |
| O33 | C32 | C13 | C14 | 133.3° | 98.5° |
| O33 | C32 | C31 | H31 | 149.3° | 122.6° |
| O33 | C32 | C13 | H13 | 12.1° | 23.8° |
| C32 | C13 | C14 | H13 | 122.6° | 122.3° |
| C32 | C13 | C14 | O15 | 70.2° | 178.2° |
| C13 | C32 | C31 | H31 | 93.8° | 118.7° |
| C13 | C32 | O33 | HO33 | 123.9° | 176.1° |
| C32 | C13 | C14 | H14 | 169.7° | 58.1° |
| C32 | C13 | C14 | H14A | 50.2° | 61.9° |
| C13 | C14 | O15 | H14 | 120.0° | 120.0° |
| C13 | C14 | O15 | H14A | 120.4° | 120.0° |
| C13 | C14 | O15 | C16 | 170.3° | 180.0° |
| C14 | C13 | C32 | H32 | 13.2° | 24.1° |
| C13 | C14 | H14 | H14A | 120.4° | 120.0° |
| C14 | O15 | C16 | C17 | 146.7° | 180.0° |
| O15 | C14 | C13 | H13 | 167.1° | 55.9° |
| O15 | C14 | H14 | H14A | 120.5° | 120.0° |
| C14 | O15 | C16 | H16 | 93.3° | 60.0° |
| C14 | O15 | C16 | H16A | 31.8° | 60.1° |
| O15 | C16 | C17 | H16 | 120.0° | 120.0° |
| O15 | C16 | C17 | H16A | 114.9° | 120.0° |
| O15 | C16 | C17 | C18 | 117.5° | 90.0° |
| O15 | C16 | C17 | C22 | 62.7° | 90.2° |
| C16 | O15 | C14 | H14 | 69.7° | 60.0° |
| C16 | O15 | C14 | H14A | 49.9° | 60.1° |
| O15 | C16 | H16 | H16A | 115.6° | 120.0° |
| C16 | C17 | C18 | C22 | 179.7° | 179.8° |
| C16 | C17 | C18 | C19 | 179.9° | 180.0° |
| C16 | C17 | C22 | C21 | 179.6° | 179.8° |
| C17 | C16 | H16 | H16A | 115.7° | 119.9° |
| C16 | C17 | C18 | H18 | 0.1° | 0.0° |
| C16 | C17 | C22 | H22 | 0.4° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.6° | 0.0° |
| C18 | C17 | C22 | C21 | 0.1° | 0.5° |
| C18 | C17 | C16 | H16 | 2.5° | 30.0° |
| C18 | C17 | C16 | H16A | 127.6° | 150.0° |
| C17 | C18 | C19 | H19 | 179.4° | 180.0° |
| C18 | C17 | C22 | H22 | 179.9° | 179.7° |
| C22 | C17 | C18 | C19 | 0.4° | 0.3° |
| C17 | C22 | C21 | C20 | 0.4° | 0.5° |
| C17 | C22 | C21 | H22 | 180.0° | 179.8° |
| C22 | C17 | C16 | H16 | 177.3° | 149.7° |
| C22 | C17 | C16 | H16A | 52.2° | 29.7° |
| C22 | C17 | C18 | H18 | 179.6° | 179.8° |
| C17 | C22 | C21 | H21 | 179.6° | 179.7° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C29 | 179.5° | 180.0° |
| C18 | C19 | C20 | C21 | 0.3° | 0.0° |
| C19 | C20 | C29 | C21 | 179.8° | 180.0° |
| C19 | C20 | C29 | N30 | 146.8° | 40.5° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C20 | C19 | C18 | H18 | 179.4° | 180.0° |
| C19 | C20 | C21 | H21 | 179.8° | 180.0° |
| C29 | C20 | C21 | C22 | 180.0° | 179.8° |
| C29 | C20 | C19 | H19 | 0.5° | 0.0° |
| C29 | C20 | C21 | H21 | 0.0° | 0.0° |
| C21 | C20 | C29 | N30 | 33.0° | 139.5° |
| C20 | C21 | C22 | H21 | 180.0° | 179.8° |
| C21 | C20 | C19 | H19 | 179.7° | 180.0° |
| C20 | C21 | C22 | H22 | 179.6° | 179.7° |
| H40 | C40 | C39 | H39 | 0.4° | 0.1° |
| H39 | C39 | C38 | H38 | 0.4° | 0.0° |
| H27 | C27 | C26 | H26 | 0.1° | 0.0° |
| H24 | C24 | N23 | HN23 | 96.8° | 120.0° |
| H24A | C24 | N23 | HN23 | 143.0° | 119.9° |
| H11 | C11 | C31 | H31 | 157.0° | 146.4° |
| H31 | C31 | O34 | HO34 | 109.4° | 57.4° |
| H31 | C31 | C32 | H32 | 29.3° | 0.0° |
| H32 | C32 | O33 | HO33 | 0.5° | 61.2° |
| H32 | C32 | C13 | H13 | 107.9° | 146.4° |
| H13 | C13 | C14 | H14 | 47.1° | 64.1° |
| H13 | C13 | C14 | H14A | 72.5° | 175.9° |
| H18 | C18 | C19 | H19 | 0.6° | 0.0° |
| H21 | C21 | C22 | H22 | 0.4° | 0.0° |
