BIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C1 | sing | 1.47Å | 1.52Å | |
| C1 | C2 | doub | 1.39Å | 1.44Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.44Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | N7 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.44Å | Aromatic |
| C4 | C9 | sing | 1.42Å | 1.45Å | Aromatic |
| C6 | C5 | doub | 1.36Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | N7 | sing | 1.47Å | 1.49Å | |
| N7 | C8 | sing | 1.37Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.42Å | Aromatic |
| C8 | C16 | sing | 1.48Å | 1.46Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C15 | C10 | sing | 1.53Å | 1.57Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | C16 | sing | 1.47Å | 1.41Å | Aromatic |
| C16 | C20 | doub | 1.36Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.34Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | O19 | sing | 1.34Å | 1.37Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | O19 | sing | 1.34Å | 1.36Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| O23 | C21 | doub | 1.21Å | 1.27Å | |
| O22 | C21 | sing | 1.35Å | 1.27Å | |
| O22 | HO22 | sing | 0.97Å | 0.95Å | |
| C25 | C24 | sing | 1.51Å | 1.55Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| O26 | C25 | doub | 1.21Å | 1.24Å | |
| N27 | C25 | sing | 1.35Å | 1.44Å | |
| C32 | N27 | sing | 1.47Å | 1.49Å | |
| N27 | C28 | sing | 1.47Å | 1.50Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C31 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | C33 | sing | 1.51Å | 1.55Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| O35 | C33 | doub | 1.21Å | 1.27Å | |
| C33 | O34 | sing | 1.34Å | 1.27Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C1 | C2 | 120.4° | 119.8° |
| C21 | C1 | C6 | 119.9° | 119.9° |
| C1 | C21 | O23 | 118.2° | 120.0° |
| C1 | C21 | O22 | 118.2° | 120.0° |
| C2 | C1 | C6 | 119.8° | 120.3° |
| C1 | C2 | C3 | 120.3° | 119.7° |
| C1 | C2 | H2 | 119.9° | 120.2° |
| C1 | C6 | C5 | 120.0° | 120.4° |
| C1 | C6 | H6 | 120.0° | 119.7° |
| C3 | C2 | H2 | 119.9° | 120.1° |
| C2 | C3 | N7 | 132.0° | 133.1° |
| C2 | C3 | C4 | 119.6° | 119.6° |
| N7 | C3 | C4 | 108.4° | 107.3° |
| C3 | N7 | C24 | 124.5° | 125.6° |
| C3 | N7 | C8 | 108.9° | 108.8° |
| C3 | C4 | C5 | 119.9° | 120.0° |
| C3 | C4 | C9 | 107.2° | 106.8° |
| C5 | C4 | C9 | 132.9° | 133.2° |
| C4 | C5 | C6 | 120.4° | 120.0° |
| C4 | C5 | H5 | 119.8° | 120.0° |
| C4 | C9 | C8 | 107.0° | 107.9° |
| C4 | C9 | C10 | 126.6° | 126.1° |
| C6 | C5 | H5 | 119.8° | 119.9° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| C24 | N7 | C8 | 126.7° | 125.6° |
| N7 | C24 | C25 | 112.5° | 109.5° |
| N7 | C24 | H24 | 108.5° | 109.5° |
| N7 | C24 | H24A | 108.5° | 109.5° |
| N7 | C8 | C9 | 108.5° | 109.3° |
| N7 | C8 | C16 | 126.2° | 125.3° |
| C9 | C8 | C16 | 125.4° | 125.4° |
| C8 | C9 | C10 | 126.4° | 126.0° |
| C8 | C16 | C17 | 127.1° | 127.2° |
| C8 | C16 | C20 | 126.7° | 127.2° |
| C9 | C10 | C15 | 111.2° | 109.4° |
| C9 | C10 | C11 | 112.3° | 109.5° |
| C9 | C10 | H10 | 106.8° | 109.5° |
| C15 | C10 | C11 | 110.9° | 109.5° |
| C15 | C10 | H10 | 108.3° | 109.5° |
| C10 | C15 | C14 | 113.6° | 109.5° |
| C10 | C15 | H15 | 108.1° | 109.5° |
| C10 | C15 | H15A | 108.1° | 109.5° |
| C11 | C10 | H10 | 107.1° | 109.5° |
| C10 | C11 | C12 | 112.4° | 109.5° |
| C10 | C11 | H11 | 108.5° | 109.4° |
| C10 | C11 | H11A | 108.5° | 109.4° |
| C12 | C11 | H11 | 108.5° | 109.5° |
| C12 | C11 | H11A | 108.5° | 109.5° |
| C11 | C12 | C13 | 112.4° | 109.5° |
| C11 | C12 | H12 | 108.5° | 109.4° |
| C11 | C12 | H12A | 108.5° | 109.4° |
| H11 | C11 | H11A | 110.4° | 109.5° |
| C13 | C12 | H12 | 108.5° | 109.5° |
| C13 | C12 | H12A | 108.5° | 109.5° |
| C12 | C13 | C14 | 112.6° | 109.5° |
| C12 | C13 | H13 | 108.5° | 109.4° |
| C12 | C13 | H13A | 108.4° | 109.4° |
| H12 | C12 | H12A | 110.4° | 109.5° |
| C14 | C13 | H13 | 108.4° | 109.5° |
| C14 | C13 | H13A | 108.4° | 109.5° |
| C13 | C14 | C15 | 112.9° | 109.5° |
| C13 | C14 | H14 | 108.3° | 109.4° |
| C13 | C14 | H14A | 108.3° | 109.4° |
| H13 | C13 | H13A | 110.5° | 109.5° |
| C15 | C14 | H14 | 108.3° | 109.5° |
| C15 | C14 | H14A | 108.4° | 109.5° |
| C14 | C15 | H15 | 108.1° | 109.4° |
| C14 | C15 | H15A | 108.1° | 109.5° |
| H14 | C14 | H14A | 110.6° | 109.5° |
| H15 | C15 | H15A | 110.8° | 109.5° |
| C17 | C16 | C20 | 106.3° | 105.7° |
| C16 | C17 | C18 | 106.4° | 106.0° |
| C16 | C17 | H17 | 126.8° | 127.0° |
| C16 | C20 | O19 | 110.3° | 108.5° |
| C16 | C20 | H20 | 124.8° | 125.7° |
| C18 | C17 | H17 | 126.8° | 127.0° |
| C17 | C18 | O19 | 110.3° | 109.1° |
| C17 | C18 | H18 | 124.9° | 125.4° |
| O19 | C18 | H18 | 124.8° | 125.5° |
| C18 | O19 | C20 | 106.7° | 110.8° |
| O19 | C20 | H20 | 124.8° | 125.8° |
| O23 | C21 | O22 | 123.6° | 120.0° |
| C21 | O22 | HO22 | 109.5° | 117.0° |
| C25 | C24 | H24 | 108.5° | 109.5° |
| C25 | C24 | H24A | 108.5° | 109.5° |
| C24 | C25 | O26 | 120.7° | 120.0° |
| C24 | C25 | N27 | 118.4° | 120.0° |
| H24 | C24 | H24A | 110.4° | 109.5° |
| O26 | C25 | N27 | 120.9° | 120.0° |
| C25 | N27 | C32 | 119.7° | 120.6° |
| C25 | N27 | C28 | 121.7° | 120.7° |
| C32 | N27 | C28 | 118.6° | 118.7° |
| N27 | C32 | C31 | 111.1° | 109.0° |
| N27 | C32 | H32 | 108.9° | 109.6° |
| N27 | C32 | H32A | 108.9° | 109.6° |
| N27 | C28 | C29 | 112.5° | 108.8° |
| N27 | C28 | H28 | 108.5° | 109.6° |
| N27 | C28 | H28A | 108.5° | 109.6° |
| C29 | C28 | H28 | 108.5° | 109.6° |
| C29 | C28 | H28A | 108.5° | 109.6° |
| C28 | C29 | C30 | 113.0° | 109.3° |
| C28 | C29 | H29 | 108.3° | 109.5° |
| C28 | C29 | H29A | 108.3° | 109.5° |
| H28 | C28 | H28A | 110.4° | 109.6° |
| C30 | C29 | H29 | 108.3° | 109.5° |
| C30 | C29 | H29A | 108.3° | 109.5° |
| C29 | C30 | C31 | 112.8° | 109.5° |
| C29 | C30 | C33 | 111.5° | 109.4° |
| C29 | C30 | H30 | 105.9° | 109.5° |
| H29 | C29 | H29A | 110.6° | 109.6° |
| C31 | C30 | C33 | 109.8° | 109.4° |
| C31 | C30 | H30 | 107.7° | 109.5° |
| C30 | C31 | C32 | 112.4° | 109.4° |
| C30 | C31 | H31 | 108.5° | 109.5° |
| C30 | C31 | H31A | 108.5° | 109.5° |
| C33 | C30 | H30 | 109.1° | 109.5° |
| C30 | C33 | O35 | 117.7° | 120.0° |
| C30 | C33 | O34 | 118.7° | 120.0° |
| C32 | C31 | H31 | 108.5° | 109.6° |
| C32 | C31 | H31A | 108.5° | 109.4° |
| C31 | C32 | H32 | 109.0° | 109.5° |
| C31 | C32 | H32A | 109.0° | 109.4° |
| H31 | C31 | H31A | 110.4° | 109.5° |
| H32 | C32 | H32A | 110.0° | 109.7° |
| O35 | C33 | O34 | 123.6° | 120.0° |
| C33 | O34 | HO34 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C1 | C2 | C6 | 179.7° | 179.7° |
| C21 | C1 | C2 | C3 | 179.9° | 179.7° |
| C21 | C1 | C2 | H2 | 0.1° | 0.4° |
| C21 | C1 | C6 | C5 | 179.8° | 179.7° |
| C21 | C1 | C6 | H6 | 0.2° | 0.3° |
| C1 | C21 | O23 | O22 | 180.0° | 179.9° |
| C1 | C21 | O22 | HO22 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | N7 | 179.8° | 179.9° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | C21 | O23 | 0.2° | 0.1° |
| C2 | C1 | C21 | O22 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C6 | C1 | C21 | O23 | 179.9° | 179.8° |
| C6 | C1 | C21 | O22 | 0.1° | 0.3° |
| C2 | C3 | N7 | C4 | 179.6° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C2 | C3 | C4 | C9 | 179.8° | 180.0° |
| C2 | C3 | N7 | C24 | 0.1° | 0.1° |
| C2 | C3 | N7 | C8 | 179.9° | 179.9° |
| H2 | C2 | C3 | N7 | 0.2° | 0.1° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| N7 | C3 | C4 | C5 | 179.9° | 180.0° |
| N7 | C3 | C4 | C9 | 0.1° | 0.1° |
| C3 | N7 | C24 | C8 | 180.0° | 180.0° |
| C3 | N7 | C8 | C9 | 0.3° | 0.0° |
| C3 | N7 | C8 | C16 | 179.9° | 179.9° |
| C3 | N7 | C24 | C25 | 87.9° | 90.1° |
| C3 | N7 | C24 | H24 | 32.1° | 149.9° |
| C3 | N7 | C24 | H24A | 152.1° | 29.9° |
| C3 | C4 | C5 | C9 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | C3 | N7 | C24 | 179.7° | 180.0° |
| C4 | C3 | N7 | C8 | 0.3° | 0.0° |
| C3 | C4 | C9 | C8 | 0.1° | 0.1° |
| C3 | C4 | C9 | C10 | 179.9° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 179.9° | 180.0° |
| C5 | C4 | C9 | C10 | 0.1° | 0.0° |
| C9 | C4 | C5 | C6 | 179.9° | 180.0° |
| C9 | C4 | C5 | H5 | 0.1° | 0.0° |
| C4 | C9 | C8 | N7 | 0.3° | 0.0° |
| C4 | C9 | C8 | C10 | 180.0° | 179.9° |
| C4 | C9 | C8 | C16 | 180.0° | 180.0° |
| C4 | C9 | C10 | C15 | 55.6° | 60.1° |
| C4 | C9 | C10 | C11 | 69.3° | 59.9° |
| C4 | C9 | C10 | H10 | 173.5° | 180.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| C24 | N7 | C8 | C9 | 179.7° | 180.0° |
| C24 | N7 | C8 | C16 | 0.1° | 0.0° |
| N7 | C24 | C25 | H24 | 120.0° | 120.0° |
| N7 | C24 | C25 | H24A | 120.0° | 120.0° |
| N7 | C24 | H24 | H24A | 118.8° | 120.0° |
| N7 | C24 | C25 | O26 | 20.8° | 0.0° |
| N7 | C24 | C25 | N27 | 158.8° | 180.0° |
| N7 | C8 | C9 | C16 | 179.8° | 179.9° |
| N7 | C8 | C9 | C10 | 179.7° | 180.0° |
| N7 | C8 | C16 | C17 | 58.4° | 44.7° |
| N7 | C8 | C16 | C20 | 121.7° | 135.0° |
| C8 | N7 | C24 | C25 | 92.1° | 90.0° |
| C8 | N7 | C24 | H24 | 147.9° | 30.0° |
| C8 | N7 | C24 | H24A | 27.9° | 150.0° |
| C8 | C9 | C10 | C15 | 124.5° | 120.0° |
| C8 | C9 | C10 | C11 | 110.7° | 120.0° |
| C8 | C9 | C10 | H10 | 6.5° | 0.1° |
| C9 | C8 | C16 | C17 | 121.4° | 135.3° |
| C9 | C8 | C16 | C20 | 58.6° | 45.1° |
| C16 | C8 | C9 | C10 | 0.0° | 0.1° |
| C8 | C16 | C17 | C20 | 180.0° | 179.7° |
| C8 | C16 | C17 | C18 | 180.0° | 180.0° |
| C8 | C16 | C17 | H17 | 0.1° | 0.0° |
| C8 | C16 | C20 | O19 | 179.9° | 179.8° |
| C8 | C16 | C20 | H20 | 0.1° | 0.0° |
| C9 | C10 | C15 | C11 | 125.7° | 120.0° |
| C9 | C10 | C15 | H10 | 117.0° | 120.0° |
| C9 | C10 | C11 | H10 | 116.9° | 120.0° |
| C9 | C10 | C11 | C12 | 177.6° | 180.0° |
| C9 | C10 | C11 | H11 | 62.4° | 60.0° |
| C9 | C10 | C11 | H11A | 57.7° | 59.9° |
| C9 | C10 | C15 | C14 | 176.4° | 180.0° |
| C9 | C10 | C15 | H15 | 56.4° | 60.0° |
| C9 | C10 | C15 | H15A | 63.6° | 60.0° |
| C15 | C10 | C11 | H10 | 118.0° | 120.0° |
| C15 | C10 | C11 | C12 | 52.6° | 60.0° |
| C15 | C10 | C11 | H11 | 172.6° | 180.0° |
| C15 | C10 | C11 | H11A | 67.4° | 60.0° |
| C10 | C15 | C14 | C13 | 50.0° | 60.0° |
| C10 | C15 | C14 | H15 | 120.0° | 120.0° |
| C10 | C15 | C14 | H15A | 120.0° | 120.0° |
| C10 | C15 | C14 | H14 | 70.0° | 60.0° |
| C10 | C15 | C14 | H14A | 170.0° | 180.0° |
| C10 | C15 | H15 | H15A | 118.3° | 120.0° |
| C10 | C11 | C12 | H11 | 120.0° | 120.0° |
| C10 | C11 | C12 | H11A | 120.0° | 120.0° |
| C10 | C11 | H11 | H11A | 118.8° | 119.9° |
| C10 | C11 | C12 | C13 | 54.3° | 60.0° |
| C10 | C11 | C12 | H12 | 65.7° | 60.0° |
| C10 | C11 | C12 | H12A | 174.3° | 180.0° |
| C11 | C10 | C15 | C14 | 50.7° | 60.0° |
| C11 | C10 | C15 | H15 | 69.3° | 60.0° |
| C11 | C10 | C15 | H15A | 170.7° | 180.0° |
| H10 | C10 | C11 | C12 | 65.4° | 60.0° |
| H10 | C10 | C11 | H11 | 54.5° | 60.0° |
| H10 | C10 | C11 | H11A | 174.6° | 179.9° |
| H10 | C10 | C15 | C14 | 66.5° | 60.0° |
| H10 | C10 | C15 | H15 | 173.5° | 180.0° |
| H10 | C10 | C15 | H15A | 53.5° | 59.9° |
| C12 | C11 | H11 | H11A | 118.8° | 120.1° |
| C11 | C12 | C13 | H12 | 120.0° | 120.0° |
| C11 | C12 | C13 | H12A | 120.0° | 120.0° |
| C11 | C12 | H12 | H12A | 118.8° | 120.0° |
| C11 | C12 | C13 | C14 | 52.6° | 60.0° |
| C11 | C12 | C13 | H13 | 172.6° | 180.0° |
| C11 | C12 | C13 | H13A | 67.4° | 60.0° |
| H11 | C11 | C12 | C13 | 174.2° | 180.0° |
| H11 | C11 | C12 | H12 | 54.3° | 60.0° |
| H11 | C11 | C12 | H12A | 65.8° | 60.0° |
| H11A | C11 | C12 | C13 | 65.7° | 60.0° |
| H11A | C11 | C12 | H12 | 174.3° | 180.0° |
| H11A | C11 | C12 | H12A | 54.3° | 60.0° |
| C13 | C12 | H12 | H12A | 118.8° | 120.1° |
| C12 | C13 | C14 | H13 | 120.0° | 120.0° |
| C12 | C13 | C14 | H13A | 120.0° | 120.0° |
| C12 | C13 | H13 | H13A | 118.7° | 119.9° |
| C12 | C13 | C14 | C15 | 50.3° | 60.0° |
| C12 | C13 | C14 | H14 | 69.7° | 60.0° |
| C12 | C13 | C14 | H14A | 170.3° | 180.0° |
| H12 | C12 | C13 | C14 | 67.4° | 60.0° |
| H12 | C12 | C13 | H13 | 52.6° | 60.1° |
| H12 | C12 | C13 | H13A | 172.6° | 180.0° |
| H12A | C12 | C13 | C14 | 172.6° | 180.0° |
| H12A | C12 | C13 | H13 | 67.4° | 60.0° |
| H12A | C12 | C13 | H13A | 52.6° | 60.0° |
| C14 | C13 | H13 | H13A | 118.7° | 120.1° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 120.0° | 120.0° |
| C13 | C14 | H14 | H14A | 118.6° | 119.9° |
| C13 | C14 | C15 | H15 | 70.0° | 60.0° |
| C13 | C14 | C15 | H15A | 170.0° | 180.0° |
| H13 | C13 | C14 | C15 | 170.3° | 180.0° |
| H13 | C13 | C14 | H14 | 50.4° | 59.9° |
| H13 | C13 | C14 | H14A | 69.6° | 60.0° |
| H13A | C13 | C14 | C15 | 69.7° | 60.0° |
| H13A | C13 | C14 | H14 | 170.4° | 180.0° |
| H13A | C13 | C14 | H14A | 50.4° | 60.0° |
| C15 | C14 | H14 | H14A | 118.6° | 120.1° |
| C14 | C15 | H15 | H15A | 118.3° | 120.0° |
| H14 | C14 | C15 | H15 | 170.0° | 180.0° |
| H14 | C14 | C15 | H15A | 50.0° | 60.0° |
| H14A | C14 | C15 | H15 | 50.0° | 60.0° |
| H14A | C14 | C15 | H15A | 70.0° | 60.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | O19 | 0.0° | 0.0° |
| C16 | C17 | C18 | H18 | 180.0° | 180.0° |
| C17 | C16 | C20 | O19 | 0.0° | 0.4° |
| C17 | C16 | C20 | H20 | 179.9° | 179.8° |
| C20 | C16 | C17 | C18 | 0.0° | 0.3° |
| C20 | C16 | C17 | H17 | 180.0° | 179.8° |
| C16 | C20 | O19 | C18 | 0.0° | 0.5° |
| C16 | C20 | O19 | H20 | 180.0° | 179.8° |
| C17 | C18 | O19 | H18 | 180.0° | 180.0° |
| C17 | C18 | O19 | C20 | 0.0° | 0.3° |
| H17 | C17 | C18 | O19 | 180.0° | 179.9° |
| H17 | C17 | C18 | H18 | 0.0° | 0.0° |
| C18 | O19 | C20 | H20 | 179.9° | 179.7° |
| H18 | C18 | O19 | C20 | 180.0° | 179.8° |
| O23 | C21 | O22 | HO22 | 0.0° | 0.1° |
| C25 | C24 | H24 | H24A | 118.8° | 120.0° |
| C24 | C25 | O26 | N27 | 179.5° | 180.0° |
| C24 | C25 | N27 | C32 | 179.2° | 0.3° |
| C24 | C25 | N27 | C28 | 1.2° | 180.0° |
| H24 | C24 | C25 | O26 | 99.3° | 120.0° |
| H24 | C24 | C25 | N27 | 81.2° | 60.0° |
| H24A | C24 | C25 | O26 | 140.8° | 120.0° |
| H24A | C24 | C25 | N27 | 38.8° | 60.0° |
| O26 | C25 | N27 | C32 | 0.3° | 179.7° |
| O26 | C25 | N27 | C28 | 179.3° | 0.0° |
| C25 | N27 | C32 | C28 | 179.6° | 179.7° |
| C25 | N27 | C28 | C29 | 133.7° | 126.4° |
| C25 | N27 | C28 | H28 | 106.3° | 113.8° |
| C25 | N27 | C28 | H28A | 13.7° | 6.6° |
| C25 | N27 | C32 | C31 | 130.8° | 126.4° |
| C25 | N27 | C32 | H32 | 10.8° | 6.6° |
| C25 | N27 | C32 | H32A | 109.2° | 113.9° |
| C32 | N27 | C28 | C29 | 46.7° | 53.3° |
| C32 | N27 | C28 | H28 | 73.3° | 66.5° |
| C32 | N27 | C28 | H28A | 166.8° | 173.1° |
| N27 | C32 | C31 | C30 | 50.8° | 54.4° |
| N27 | C32 | C31 | H32 | 120.0° | 119.9° |
| N27 | C32 | C31 | H32A | 120.0° | 119.9° |
| N27 | C32 | C31 | H31 | 170.7° | 174.4° |
| N27 | C32 | C31 | H31A | 69.2° | 65.5° |
| N27 | C32 | H32 | H32A | 119.3° | 120.4° |
| N27 | C28 | C29 | H28 | 120.0° | 119.8° |
| N27 | C28 | C29 | H28A | 120.0° | 119.8° |
| N27 | C28 | H28 | H28A | 118.7° | 120.4° |
| N27 | C28 | C29 | C30 | 44.5° | 54.6° |
| N27 | C28 | C29 | H29 | 164.5° | 174.6° |
| N27 | C28 | C29 | H29A | 75.5° | 65.3° |
| C28 | N27 | C32 | C31 | 49.6° | 53.3° |
| C28 | N27 | C32 | H32 | 169.6° | 173.1° |
| C28 | N27 | C32 | H32A | 70.4° | 66.4° |
| C29 | C28 | H28 | H28A | 118.8° | 120.3° |
| C28 | C29 | C30 | H29 | 120.0° | 120.0° |
| C28 | C29 | C30 | H29A | 120.0° | 119.9° |
| C28 | C29 | H29 | H29A | 118.6° | 120.1° |
| C28 | C29 | C30 | C31 | 48.8° | 61.4° |
| C28 | C29 | C30 | C33 | 172.9° | 178.6° |
| C28 | C29 | C30 | H30 | 68.7° | 58.7° |
| H28 | C28 | C29 | C30 | 75.5° | 65.2° |
| H28 | C28 | C29 | H29 | 44.5° | 54.7° |
| H28 | C28 | C29 | H29A | 164.5° | 174.9° |
| H28A | C28 | C29 | C30 | 164.5° | 174.5° |
| H28A | C28 | C29 | H29 | 75.5° | 65.6° |
| H28A | C28 | C29 | H29A | 44.5° | 54.5° |
| C30 | C29 | H29 | H29A | 118.6° | 120.1° |
| C29 | C30 | C31 | C33 | 125.0° | 120.0° |
| C29 | C30 | C31 | H30 | 116.4° | 120.0° |
| C29 | C30 | C33 | H30 | 116.6° | 120.0° |
| C29 | C30 | C31 | C32 | 52.1° | 61.3° |
| C29 | C30 | C31 | H31 | 172.1° | 178.6° |
| C29 | C30 | C31 | H31A | 67.9° | 58.6° |
| C29 | C30 | C33 | O35 | 132.3° | 0.0° |
| C29 | C30 | C33 | O34 | 48.4° | 180.0° |
| H29 | C29 | C30 | C31 | 168.8° | 178.7° |
| H29 | C29 | C30 | C33 | 67.1° | 58.7° |
| H29 | C29 | C30 | H30 | 51.3° | 61.3° |
| H29A | C29 | C30 | C31 | 71.2° | 58.5° |
| H29A | C29 | C30 | C33 | 52.9° | 61.4° |
| H29A | C29 | C30 | H30 | 171.3° | 178.6° |
| C31 | C30 | C33 | H30 | 117.8° | 120.0° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H31A | 120.0° | 119.9° |
| C30 | C31 | H31 | H31A | 118.8° | 120.0° |
| C30 | C31 | C32 | H32 | 170.8° | 174.3° |
| C30 | C31 | C32 | H32A | 69.2° | 65.4° |
| C31 | C30 | C33 | O35 | 102.0° | 120.1° |
| C31 | C30 | C33 | O34 | 77.3° | 59.9° |
| C33 | C30 | C31 | C32 | 177.1° | 178.8° |
| C33 | C30 | C31 | H31 | 62.9° | 58.7° |
| C33 | C30 | C31 | H31A | 57.1° | 61.4° |
| C30 | C33 | O35 | O34 | 179.2° | 180.0° |
| C30 | C33 | O34 | HO34 | 179.2° | 179.9° |
| H30 | C30 | C31 | C32 | 64.3° | 58.8° |
| H30 | C30 | C31 | H31 | 55.7° | 61.3° |
| H30 | C30 | C31 | H31A | 175.7° | 178.6° |
| H30 | C30 | C33 | O35 | 15.8° | 120.0° |
| H30 | C30 | C33 | O34 | 165.0° | 60.0° |
| C32 | C31 | H31 | H31A | 118.8° | 120.0° |
| C31 | C32 | H32 | H32A | 119.4° | 120.1° |
| H31 | C31 | C32 | H32 | 69.2° | 65.7° |
| H31 | C31 | C32 | H32A | 50.8° | 54.6° |
| H31A | C31 | C32 | H32 | 50.8° | 54.4° |
| H31A | C31 | C32 | H32A | 170.8° | 174.7° |
| O35 | C33 | O34 | HO34 | 0.0° | 0.1° |
