LBB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C22 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| O1 | C28 | doub | 1.21Å | 1.24Å | |
| C20 | C19 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C28 | C19 | sing | 1.51Å | 1.54Å | |
| C28 | N4 | sing | 1.35Å | 1.33Å | |
| C19 | N3 | sing | 1.47Å | 1.47Å | |
| N3 | C18 | sing | 1.35Å | 1.35Å | |
| C18 | O2 | doub | 1.22Å | 1.24Å | |
| C18 | C4 | sing | 1.48Å | 1.52Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C1 | C | sing | 1.51Å | 1.51Å | |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | N | sing | 1.40Å | 1.41Å | |
| N | C7 | sing | 1.35Å | 1.31Å | |
| C7 | O | doub | 1.22Å | 1.23Å | |
| C7 | C8 | sing | 1.47Å | 1.49Å | |
| C9 | C8 | sing | 1.41Å | 1.41Å | Aromatic |
| C9 | N1 | doub | 1.30Å | 1.32Å | Aromatic |
| C8 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| C10 | N2 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | C11 | sing | 1.40Å | 1.43Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| C11 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| N4 | H3 | sing | 0.97Å | 1.00Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C21 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C3 | H22 | sing | 1.08Å | 1.08Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.09Å | 1.10Å | |
| N | H26 | sing | 0.97Å | 1.00Å | |
| C10 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | H28 | sing | 1.08Å | 1.08Å | |
| C17 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.08Å | 1.08Å | |
| C14 | H33 | sing | 1.08Å | 1.08Å | |
| C13 | H34 | sing | 1.08Å | 1.08Å | |
| C12 | H35 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C27 | C22 | 113.1° | 109.5° |
| C27 | C26 | C25 | 111.3° | 109.5° |
| C26 | C27 | H12 | 108.6° | 109.4° |
| C26 | C27 | H13 | 108.6° | 109.5° |
| C27 | C26 | H14 | 109.0° | 109.5° |
| C27 | C26 | H15 | 109.0° | 109.5° |
| C27 | C22 | C21 | 111.0° | 109.5° |
| C27 | C22 | C23 | 110.4° | 109.5° |
| C27 | C22 | H11 | 107.7° | 109.5° |
| C22 | C27 | H12 | 108.6° | 109.5° |
| C22 | C27 | H13 | 108.6° | 109.5° |
| C26 | C25 | C24 | 110.6° | 109.4° |
| C25 | C26 | H14 | 109.0° | 109.4° |
| C25 | C26 | H15 | 109.0° | 109.5° |
| C26 | C25 | H16 | 109.2° | 109.5° |
| C26 | C25 | H17 | 109.2° | 109.5° |
| C22 | C21 | C20 | 118.8° | 109.5° |
| C21 | C22 | C23 | 111.7° | 109.5° |
| C22 | C21 | H9 | 107.1° | 109.5° |
| C22 | C21 | H10 | 107.1° | 109.4° |
| C21 | C22 | H11 | 108.0° | 109.4° |
| C21 | C20 | C19 | 119.1° | 109.5° |
| C21 | C20 | H7 | 107.0° | 109.4° |
| C21 | C20 | H8 | 107.0° | 109.5° |
| C20 | C21 | H9 | 107.1° | 109.5° |
| C20 | C21 | H10 | 107.1° | 109.5° |
| C25 | C24 | C23 | 110.9° | 109.5° |
| C24 | C25 | H16 | 109.2° | 109.5° |
| C24 | C25 | H17 | 109.2° | 109.5° |
| C25 | C24 | H18 | 109.1° | 109.4° |
| C25 | C24 | H19 | 109.1° | 109.5° |
| C22 | C23 | C24 | 112.9° | 109.5° |
| C23 | C22 | H11 | 108.0° | 109.5° |
| C22 | C23 | H20 | 108.6° | 109.5° |
| C22 | C23 | H21 | 108.6° | 109.5° |
| O1 | C28 | C19 | 120.3° | 120.0° |
| O1 | C28 | N4 | 122.8° | 120.0° |
| C20 | C19 | C28 | 111.5° | 109.5° |
| C20 | C19 | N3 | 109.4° | 109.5° |
| C20 | C19 | H6 | 108.6° | 109.5° |
| C19 | C20 | H7 | 107.0° | 109.5° |
| C19 | C20 | H8 | 107.0° | 109.5° |
| C23 | C24 | H18 | 109.1° | 109.5° |
| C23 | C24 | H19 | 109.1° | 109.5° |
| C24 | C23 | H20 | 108.6° | 109.5° |
| C24 | C23 | H21 | 108.6° | 109.4° |
| C19 | C28 | N4 | 117.0° | 120.0° |
| C28 | C19 | N3 | 109.2° | 109.5° |
| C28 | C19 | H6 | 108.6° | 109.5° |
| C28 | N4 | H3 | 120.0° | 120.0° |
| C28 | N4 | H4 | 120.0° | 120.0° |
| C19 | N3 | C18 | 123.6° | 120.0° |
| C19 | N3 | H2 | 118.2° | 120.0° |
| N3 | C19 | H6 | 109.5° | 109.5° |
| N3 | C18 | O2 | 121.9° | 120.0° |
| N3 | C18 | C4 | 117.5° | 120.0° |
| C18 | N3 | H2 | 118.2° | 119.9° |
| O2 | C18 | C4 | 120.6° | 120.0° |
| C18 | C4 | C3 | 123.1° | 120.1° |
| C18 | C4 | C5 | 117.5° | 120.1° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C3 | C2 | C1 | 122.0° | 120.2° |
| C3 | C2 | H1 | 119.0° | 119.9° |
| C2 | C3 | H22 | 119.8° | 120.0° |
| C3 | C4 | C5 | 118.6° | 119.8° |
| C4 | C3 | H22 | 119.7° | 120.0° |
| C2 | C1 | C6 | 117.7° | 120.2° |
| C2 | C1 | C | 120.4° | 119.9° |
| C1 | C2 | H1 | 119.0° | 119.9° |
| C4 | C5 | C6 | 121.4° | 119.8° |
| C4 | C5 | H5 | 119.4° | 120.1° |
| C6 | C1 | C | 121.3° | 119.9° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C1 | C6 | N | 115.2° | 120.0° |
| C1 | C | H23 | 109.5° | 109.4° |
| C1 | C | H24 | 109.5° | 109.5° |
| C1 | C | H25 | 109.5° | 109.4° |
| C5 | C6 | N | 123.4° | 120.0° |
| C6 | C5 | H5 | 119.3° | 120.2° |
| C6 | N | C7 | 129.8° | 120.0° |
| C6 | N | H26 | 115.1° | 120.0° |
| N | C7 | O | 120.4° | 120.0° |
| N | C7 | C8 | 118.4° | 120.0° |
| C7 | N | H26 | 115.1° | 120.0° |
| O | C7 | C8 | 120.3° | 120.0° |
| C7 | C8 | C9 | 132.7° | 126.4° |
| C7 | C8 | C10 | 123.2° | 126.4° |
| C8 | C9 | N1 | 112.4° | 108.0° |
| C9 | C8 | C10 | 104.0° | 107.2° |
| C8 | C9 | H28 | 123.8° | 126.0° |
| C9 | N1 | N2 | 104.4° | 108.9° |
| N1 | C9 | H28 | 123.8° | 126.0° |
| C8 | C10 | N2 | 107.1° | 107.4° |
| C8 | C10 | H27 | 126.5° | 126.3° |
| N1 | N2 | C10 | 112.1° | 108.4° |
| N1 | N2 | C11 | 119.6° | 125.8° |
| C10 | N2 | C11 | 128.3° | 125.8° |
| N2 | C10 | H27 | 126.4° | 126.3° |
| N2 | C11 | C16 | 119.9° | 120.0° |
| N2 | C11 | C12 | 118.5° | 120.1° |
| C17 | C16 | C11 | 122.2° | 120.1° |
| C17 | C16 | C15 | 120.3° | 120.0° |
| C16 | C17 | H29 | 109.5° | 109.5° |
| C16 | C17 | H30 | 109.4° | 109.5° |
| C16 | C17 | H31 | 109.5° | 109.4° |
| C16 | C11 | C12 | 121.6° | 119.9° |
| C11 | C16 | C15 | 117.5° | 119.9° |
| C11 | C12 | C13 | 119.1° | 120.0° |
| C11 | C12 | H35 | 120.4° | 120.0° |
| C16 | C15 | C14 | 121.3° | 120.1° |
| C16 | C15 | H32 | 119.3° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.0° |
| C12 | C13 | H34 | 119.9° | 120.0° |
| C13 | C12 | H35 | 120.5° | 120.0° |
| C15 | C14 | C13 | 120.2° | 120.2° |
| C14 | C15 | H32 | 119.3° | 119.9° |
| C15 | C14 | H33 | 119.9° | 119.9° |
| C13 | C14 | H33 | 119.9° | 119.9° |
| C14 | C13 | H34 | 119.9° | 120.0° |
| H3 | N4 | H4 | 120.0° | 120.0° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C21 | H10 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.5° | 109.5° |
| H14 | C26 | H15 | 109.5° | 109.5° |
| H16 | C25 | H17 | 109.4° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H20 | C23 | H21 | 109.4° | 109.5° |
| H23 | C | H24 | 109.5° | 109.5° |
| H23 | C | H25 | 109.5° | 109.5° |
| H24 | C | H25 | 109.4° | 109.5° |
| H29 | C17 | H30 | 109.5° | 109.5° |
| H29 | C17 | H31 | 109.4° | 109.5° |
| H30 | C17 | H31 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C27 | C22 | H12 | 120.5° | 120.0° |
| C26 | C27 | C22 | H13 | 120.6° | 120.0° |
| C27 | C26 | C25 | H14 | 120.2° | 120.0° |
| C27 | C26 | C25 | H15 | 120.3° | 120.0° |
| C26 | C27 | C22 | C21 | 175.1° | 180.0° |
| C27 | C26 | C25 | C24 | 56.6° | 60.0° |
| C26 | C27 | C22 | C23 | 50.7° | 60.0° |
| C26 | C27 | C22 | H11 | 66.9° | 60.0° |
| C26 | C27 | H12 | H13 | 118.3° | 120.0° |
| C27 | C26 | H14 | H15 | 119.2° | 120.0° |
| C27 | C26 | C25 | H16 | 63.6° | 60.0° |
| C27 | C26 | C25 | H17 | 176.8° | 180.0° |
| C22 | C27 | C26 | C25 | 54.0° | 60.0° |
| C27 | C22 | C21 | C23 | 123.6° | 120.0° |
| C27 | C22 | C21 | H11 | 117.8° | 120.0° |
| C27 | C22 | C21 | C20 | 178.3° | 65.0° |
| C27 | C22 | C23 | H11 | 117.4° | 120.0° |
| C27 | C22 | C23 | C24 | 51.8° | 60.0° |
| C27 | C22 | C21 | H9 | 60.4° | 175.0° |
| C27 | C22 | C21 | H10 | 56.9° | 55.0° |
| C22 | C27 | H12 | H13 | 118.3° | 120.0° |
| C22 | C27 | C26 | H14 | 174.2° | 180.0° |
| C22 | C27 | C26 | H15 | 66.3° | 60.0° |
| C27 | C22 | C23 | H20 | 172.4° | 180.0° |
| C27 | C22 | C23 | H21 | 68.7° | 60.0° |
| C26 | C25 | C24 | H16 | 120.2° | 120.0° |
| C26 | C25 | C24 | H17 | 120.2° | 120.0° |
| C26 | C25 | C24 | C23 | 57.6° | 60.0° |
| C25 | C26 | C27 | H12 | 174.5° | 60.0° |
| C25 | C26 | C27 | H13 | 66.5° | 180.0° |
| C25 | C26 | H14 | H15 | 119.1° | 120.0° |
| C26 | C25 | H16 | H17 | 119.5° | 120.0° |
| C26 | C25 | C24 | H18 | 177.8° | 180.0° |
| C26 | C25 | C24 | H19 | 62.6° | 60.0° |
| C22 | C21 | C20 | H9 | 121.3° | 120.0° |
| C22 | C21 | C20 | H10 | 121.3° | 120.0° |
| C21 | C22 | C23 | H11 | 118.6° | 120.0° |
| C22 | C21 | C20 | C19 | 59.6° | 180.0° |
| C21 | C22 | C23 | C24 | 175.8° | NaN° |
| C22 | C21 | C20 | H7 | 179.1° | 60.0° |
| C22 | C21 | C20 | H8 | 61.8° | 60.0° |
| C22 | C21 | H9 | H10 | 115.8° | 120.0° |
| C21 | C22 | C27 | H12 | 64.4° | 60.0° |
| C21 | C22 | C27 | H13 | 54.5° | 60.0° |
| C21 | C22 | C23 | H20 | 63.7° | 60.0° |
| C21 | C22 | C23 | H21 | 55.3° | 60.0° |
| C20 | C21 | C22 | C23 | 54.6° | 175.0° |
| C21 | C20 | C19 | H7 | 121.3° | 120.0° |
| C21 | C20 | C19 | H8 | 121.3° | 120.0° |
| C21 | C20 | C19 | C28 | 67.8° | 175.0° |
| C21 | C20 | C19 | N3 | 171.2° | 65.0° |
| C21 | C20 | C19 | H6 | 51.8° | 55.0° |
| C21 | C20 | H7 | H8 | 115.7° | 120.0° |
| C20 | C21 | H9 | H10 | 115.8° | 120.0° |
| C20 | C21 | C22 | H11 | 64.0° | 55.0° |
| C25 | C24 | C23 | C22 | 56.0° | 60.0° |
| C25 | C24 | C23 | H18 | 120.2° | 120.0° |
| C25 | C24 | C23 | H19 | 120.2° | 120.1° |
| C24 | C25 | C26 | H14 | 176.9° | 180.0° |
| C24 | C25 | C26 | H15 | 63.7° | 60.0° |
| C24 | C25 | H16 | H17 | 119.5° | 120.0° |
| C25 | C24 | H18 | H19 | 119.3° | 120.0° |
| C25 | C24 | C23 | H20 | 176.5° | 179.9° |
| C25 | C24 | C23 | H21 | 64.5° | 60.0° |
| C22 | C23 | C24 | H20 | 120.5° | 120.0° |
| C22 | C23 | C24 | H21 | 120.5° | 120.0° |
| C23 | C22 | C21 | H9 | 175.9° | 55.0° |
| C23 | C22 | C21 | H10 | 66.7° | 65.0° |
| C23 | C22 | C27 | H12 | 171.2° | 60.0° |
| C23 | C22 | C27 | H13 | 69.9° | 180.0° |
| C22 | C23 | C24 | H18 | 176.2° | 180.0° |
| C22 | C23 | C24 | H19 | 64.2° | 60.1° |
| C22 | C23 | H20 | H21 | 118.4° | 120.0° |
| O1 | C28 | C19 | C20 | 10.0° | 120.0° |
| O1 | C28 | C19 | N4 | 179.1° | 180.0° |
| O1 | C28 | C19 | N3 | 111.1° | 0.0° |
| O1 | C28 | N4 | H3 | 0.0° | 180.0° |
| O1 | C28 | N4 | H4 | 180.0° | 0.0° |
| O1 | C28 | C19 | H6 | 129.5° | 120.0° |
| C20 | C19 | C28 | N3 | 121.1° | 120.0° |
| C20 | C19 | C28 | H6 | 119.6° | 120.0° |
| C20 | C19 | C28 | N4 | 169.1° | 60.0° |
| C20 | C19 | N3 | H6 | 118.9° | 120.0° |
| C20 | C19 | N3 | C18 | 92.7° | 155.0° |
| C20 | C19 | N3 | H2 | 87.3° | 25.0° |
| C19 | C20 | H7 | H8 | 115.7° | 120.0° |
| C19 | C20 | C21 | H9 | 61.8° | 60.0° |
| C19 | C20 | C21 | H10 | 179.1° | 60.0° |
| C24 | C23 | C22 | H11 | 65.6° | 60.0° |
| C23 | C24 | C25 | H16 | 62.6° | 60.0° |
| C23 | C24 | C25 | H17 | 177.8° | 180.0° |
| C23 | C24 | H18 | H19 | 119.4° | 120.0° |
| C24 | C23 | H20 | H21 | 118.4° | 120.0° |
| C28 | C19 | N3 | H6 | 118.7° | 120.0° |
| C28 | C19 | N3 | C18 | 145.0° | 85.0° |
| C28 | C19 | N3 | H2 | 35.0° | 94.9° |
| C19 | C28 | N4 | H3 | 179.0° | 0.0° |
| C19 | C28 | N4 | H4 | 0.9° | 180.0° |
| C28 | C19 | C20 | H7 | 53.6° | 65.0° |
| C28 | C19 | C20 | H8 | 170.9° | 55.0° |
| N4 | C28 | C19 | N3 | 69.8° | 180.0° |
| C28 | N4 | H3 | H4 | 180.0° | 180.0° |
| N4 | C28 | C19 | H6 | 49.5° | 60.0° |
| C19 | N3 | C18 | H2 | 180.0° | 180.0° |
| C19 | N3 | C18 | O2 | 6.3° | 0.0° |
| C19 | N3 | C18 | C4 | 172.7° | 180.0° |
| N3 | C19 | C20 | H7 | 67.4° | 55.0° |
| N3 | C19 | C20 | H8 | 49.9° | 175.0° |
| N3 | C18 | O2 | C4 | 179.0° | 180.0° |
| N3 | C18 | C4 | C3 | 15.8° | 0.3° |
| N3 | C18 | C4 | C5 | 175.0° | 180.0° |
| C18 | N3 | C19 | H6 | 26.2° | 35.0° |
| O2 | C18 | C4 | C3 | 163.2° | 179.7° |
| O2 | C18 | C4 | C5 | 5.9° | 0.0° |
| O2 | C18 | N3 | H2 | 173.7° | 179.9° |
| C18 | C4 | C3 | C2 | 167.6° | 179.7° |
| C18 | C4 | C3 | C5 | 169.0° | 179.7° |
| C18 | C4 | C5 | C6 | 166.7° | 180.0° |
| C4 | C18 | N3 | H2 | 7.2° | 0.1° |
| C18 | C4 | C5 | H5 | 13.3° | 0.1° |
| C18 | C4 | C3 | H22 | 12.4° | 0.3° |
| C2 | C3 | C4 | H22 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 1.4° | 0.0° |
| C3 | C2 | C1 | C6 | 1.6° | 0.2° |
| C3 | C2 | C1 | C | 169.6° | 179.8° |
| C4 | C3 | C2 | C1 | 0.8° | 0.1° |
| C3 | C4 | C5 | C6 | 3.0° | 0.3° |
| C4 | C3 | C2 | H1 | 179.1° | 179.7° |
| C3 | C4 | C5 | H5 | 177.0° | 179.8° |
| C2 | C1 | C6 | C | 171.1° | 179.9° |
| C2 | C1 | C6 | C5 | 3.1° | 0.5° |
| C2 | C1 | C6 | N | 169.1° | 180.0° |
| C1 | C2 | C3 | H22 | 179.2° | 179.9° |
| C2 | C1 | C | H23 | 94.5° | 90.0° |
| C2 | C1 | C | H24 | 145.5° | 149.9° |
| C2 | C1 | C | H25 | 25.5° | 29.9° |
| C4 | C5 | C6 | C1 | 3.8° | 0.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | N | 168.7° | 180.0° |
| C5 | C4 | C3 | H22 | 178.5° | 180.0° |
| C1 | C6 | C5 | N | 164.9° | 179.5° |
| C1 | C6 | N | C7 | 113.8° | 154.7° |
| C6 | C1 | C2 | H1 | 178.4° | 179.9° |
| C1 | C6 | C5 | H5 | 176.1° | 179.6° |
| C6 | C1 | C | H23 | 94.6° | 90.1° |
| C6 | C1 | C | H24 | 25.4° | 30.0° |
| C6 | C1 | C | H25 | 145.4° | 150.0° |
| C1 | C6 | N | H26 | 66.2° | 25.3° |
| C | C1 | C6 | C5 | 168.1° | 179.5° |
| C | C1 | C6 | N | 2.0° | 0.0° |
| C | C1 | C2 | H1 | 10.4° | 0.0° |
| C1 | C | H23 | H24 | 120.0° | 120.0° |
| C1 | C | H23 | H25 | 120.0° | 119.9° |
| C1 | C | H24 | H25 | 120.0° | 120.0° |
| C5 | C6 | N | C7 | 51.7° | 24.8° |
| C5 | C6 | N | H26 | 128.3° | 155.2° |
| C6 | N | C7 | H26 | 180.0° | 180.0° |
| C6 | N | C7 | O | 25.7° | 5.8° |
| C6 | N | C7 | C8 | 165.3° | 174.2° |
| N | C6 | C5 | H5 | 11.3° | 0.1° |
| N | C7 | O | C8 | 168.8° | 180.0° |
| N | C7 | C8 | C9 | 2.6° | 0.0° |
| N | C7 | C8 | C10 | 174.5° | 180.0° |
| O | C7 | C8 | C9 | 171.6° | 180.0° |
| O | C7 | C8 | C10 | 5.5° | 0.0° |
| O | C7 | N | H26 | 154.3° | 174.2° |
| C7 | C8 | C9 | C10 | 177.5° | 180.0° |
| C7 | C8 | C9 | N1 | 178.3° | 180.0° |
| C7 | C8 | C10 | N2 | 178.5° | 180.0° |
| C8 | C7 | N | H26 | 14.7° | 5.8° |
| C7 | C8 | C10 | H27 | 1.4° | 0.1° |
| C7 | C8 | C9 | H28 | 1.7° | 0.0° |
| C8 | C9 | N1 | H28 | 180.0° | 180.0° |
| C8 | C9 | N1 | N2 | 0.5° | 0.1° |
| C9 | C8 | C10 | N2 | 0.8° | 0.0° |
| C9 | C8 | C10 | H27 | 179.2° | 180.0° |
| N1 | C9 | C8 | C10 | 0.8° | 0.0° |
| C9 | N1 | N2 | C10 | 0.0° | 0.1° |
| C9 | N1 | N2 | C11 | 179.8° | 180.0° |
| C8 | C10 | N2 | N1 | 0.5° | 0.1° |
| C8 | C10 | N2 | H27 | 180.0° | 179.9° |
| C8 | C10 | N2 | C11 | 179.7° | 180.0° |
| C10 | C8 | C9 | H28 | 179.2° | 180.0° |
| N1 | N2 | C10 | C11 | 179.8° | 179.9° |
| N1 | N2 | C11 | C16 | 99.3° | 40.7° |
| N1 | N2 | C11 | C12 | 80.0° | 139.0° |
| N1 | N2 | C10 | H27 | 179.5° | 180.0° |
| N2 | N1 | C9 | H28 | 179.5° | 180.0° |
| C10 | N2 | C11 | C16 | 81.0° | 139.2° |
| C10 | N2 | C11 | C12 | 99.8° | 41.1° |
| N2 | C11 | C16 | C17 | 1.9° | 0.0° |
| N2 | C11 | C16 | C12 | 179.2° | 179.8° |
| N2 | C11 | C16 | C15 | 178.4° | 179.9° |
| N2 | C11 | C12 | C13 | 178.4° | 179.7° |
| C11 | N2 | C10 | H27 | 0.3° | 0.1° |
| N2 | C11 | C12 | H35 | 1.6° | 0.0° |
| C17 | C16 | C11 | C15 | 179.7° | 179.9° |
| C17 | C16 | C11 | C12 | 178.9° | 179.7° |
| C17 | C16 | C15 | C14 | 179.5° | 180.0° |
| C16 | C17 | H29 | H30 | 120.0° | 120.0° |
| C16 | C17 | H29 | H31 | 120.0° | 120.0° |
| C16 | C17 | H30 | H31 | 120.0° | 119.9° |
| C17 | C16 | C15 | H32 | 0.5° | 0.1° |
| C16 | C11 | C12 | C13 | 0.9° | 0.5° |
| C11 | C16 | C15 | C14 | 0.1° | 0.1° |
| C11 | C16 | C17 | H29 | 89.8° | 84.9° |
| C11 | C16 | C17 | H30 | 150.2° | 155.1° |
| C11 | C16 | C17 | H31 | 30.2° | 35.1° |
| C11 | C16 | C15 | H32 | 179.9° | 180.0° |
| C16 | C11 | C12 | H35 | 179.1° | 179.8° |
| C12 | C11 | C16 | C15 | 0.8° | 0.2° |
| C11 | C12 | C13 | H35 | 180.0° | 179.7° |
| C11 | C12 | C13 | C14 | 0.3° | 0.5° |
| C11 | C12 | C13 | H34 | 179.7° | 179.7° |
| C16 | C15 | C14 | H32 | 180.0° | 179.8° |
| C16 | C15 | C14 | C13 | 0.4° | 0.1° |
| C15 | C16 | C17 | H29 | 89.8° | 95.0° |
| C15 | C16 | C17 | H30 | 30.2° | 25.1° |
| C15 | C16 | C17 | H31 | 150.2° | 145.0° |
| C16 | C15 | C14 | H33 | 179.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.3° | 0.2° |
| C12 | C13 | C14 | H34 | 180.0° | 179.8° |
| C12 | C13 | C14 | H33 | 179.6° | 179.7° |
| C15 | C14 | C13 | H33 | 180.0° | 179.9° |
| C15 | C14 | C13 | H34 | 179.7° | 180.0° |
| C13 | C14 | C15 | H32 | 179.6° | 180.0° |
| C14 | C13 | C12 | H35 | 179.7° | 179.7° |
| H1 | C2 | C3 | H22 | 0.9° | 0.3° |
| H2 | N3 | C19 | H6 | 153.8° | 145.0° |
| H6 | C19 | C20 | H7 | 173.1° | 175.0° |
| H6 | C19 | C20 | H8 | 69.5° | 65.0° |
| H7 | C20 | C21 | H9 | 59.6° | 180.0° |
| H7 | C20 | C21 | H10 | 57.8° | 60.0° |
| H8 | C20 | C21 | H9 | 176.9° | 60.0° |
| H8 | C20 | C21 | H10 | 59.5° | 180.0° |
| H9 | C21 | C22 | H11 | 57.4° | 65.0° |
| H10 | C21 | C22 | H11 | 174.7° | 175.0° |
| H11 | C22 | C27 | H12 | 53.6° | 180.0° |
| H11 | C22 | C27 | H13 | 172.5° | 60.0° |
| H11 | C22 | C23 | H20 | 54.9° | 60.0° |
| H11 | C22 | C23 | H21 | 173.9° | NaN° |
| H12 | C27 | C26 | H14 | 65.2° | 60.0° |
| H12 | C27 | C26 | H15 | 54.3° | 180.0° |
| H13 | C27 | C26 | H14 | 53.7° | 60.0° |
| H13 | C27 | C26 | H15 | 173.2° | 60.0° |
| H14 | C26 | C25 | H16 | 56.7° | 60.0° |
| H14 | C26 | C25 | H17 | 63.0° | 60.0° |
| H15 | C26 | C25 | H16 | 176.1° | 180.0° |
| H15 | C26 | C25 | H17 | 56.5° | 60.0° |
| H16 | C25 | C24 | H18 | 57.6° | 60.0° |
| H16 | C25 | C24 | H19 | 177.2° | 180.0° |
| H17 | C25 | C24 | H18 | 62.0° | 60.0° |
| H17 | C25 | C24 | H19 | 57.6° | 60.0° |
| H18 | C24 | C23 | H20 | 63.3° | 60.0° |
| H18 | C24 | C23 | H21 | 55.7° | 60.0° |
| H19 | C24 | C23 | H20 | 56.3° | 60.0° |
| H19 | C24 | C23 | H21 | 175.3° | 179.9° |
| H23 | C | H24 | H25 | 120.0° | 120.0° |
| H29 | C17 | H30 | H31 | 120.0° | 120.0° |
| H32 | C15 | C14 | H33 | 0.4° | 0.1° |
| H33 | C14 | C13 | H34 | 0.3° | 0.1° |
| H34 | C13 | C12 | H35 | 0.3° | 0.0° |
