2VN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| N1 | C2 | sing | 1.46Å | 1.51Å | |
| N1 | C7 | sing | 1.35Å | 1.41Å | |
| C9 | N2 | sing | 1.46Å | 1.49Å | |
| O3 | C27 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.54Å | |
| O2 | C27 | sing | 1.34Å | 1.36Å | |
| C27 | C26 | sing | 1.51Å | 1.54Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C13 | C18 | sing | 1.53Å | 1.54Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| C7 | N2 | sing | 1.35Å | 1.48Å | |
| C29 | C26 | sing | 1.53Å | 1.52Å | |
| C28 | C26 | sing | 1.53Å | 1.54Å | |
| N2 | C8 | sing | 1.46Å | 1.49Å | |
| C26 | S1 | sing | 1.81Å | 1.88Å | |
| C4 | C55 | sing | 1.53Å | 1.51Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.53Å | |
| C8 | C19 | sing | 1.53Å | 1.54Å | |
| C55 | C6 | sing | 1.53Å | 1.51Å | |
| S1 | C23 | sing | 1.76Å | 1.78Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.51Å | 1.52Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C14 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å | |
| C17 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C19 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H34 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | HK6 | sing | 1.08Å | 1.08Å | |
| C22 | HL7 | sing | 1.08Å | 1.08Å | |
| C24 | HL8 | sing | 1.08Å | 1.08Å | |
| C25 | HK9 | sing | 1.08Å | 1.08Å | |
| C28 | HJ2 | sing | 1.09Å | 1.10Å | |
| C28 | HJ1 | sing | 1.09Å | 1.10Å | |
| C28 | HJ0 | sing | 1.09Å | 1.10Å | |
| C29 | HJ4 | sing | 1.09Å | 1.10Å | |
| C29 | HJ5 | sing | 1.09Å | 1.10Å | |
| C29 | HJ3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C55 | H9 | sing | 1.09Å | 1.10Å | |
| C55 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| O2 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 111.9° | 109.5° |
| C10 | C9 | N2 | 109.9° | 109.5° |
| C9 | C10 | H18 | 108.8° | 109.4° |
| C9 | C10 | H17 | 108.8° | 109.4° |
| C10 | C9 | H16 | 109.4° | 109.4° |
| C10 | C9 | H15 | 109.4° | 109.4° |
| C10 | C11 | C12 | 111.9° | 109.5° |
| C11 | C10 | H18 | 108.9° | 109.5° |
| C11 | C10 | H17 | 108.9° | 109.5° |
| C10 | C11 | H20 | 108.8° | 109.4° |
| C10 | C11 | H19 | 108.9° | 109.4° |
| C15 | C14 | C13 | 110.8° | 109.5° |
| C14 | C15 | C16 | 110.6° | 109.4° |
| C15 | C14 | H24 | 109.2° | 109.5° |
| C15 | C14 | H25 | 109.2° | 109.4° |
| C14 | C15 | H26 | 109.2° | 109.5° |
| C14 | C15 | H27 | 109.2° | 109.5° |
| C14 | C13 | C12 | 110.9° | 109.5° |
| C14 | C13 | C18 | 108.3° | 109.5° |
| C14 | C13 | H23 | 109.0° | 109.5° |
| C13 | C14 | H24 | 109.2° | 109.5° |
| C13 | C14 | H25 | 109.2° | 109.5° |
| C2 | N1 | C7 | 124.5° | 120.0° |
| N1 | C2 | C3 | 109.8° | 109.5° |
| N1 | C2 | C1 | 113.0° | 109.5° |
| N1 | C2 | H3 | 108.7° | 109.5° |
| C2 | N1 | H12 | 117.8° | 120.0° |
| N1 | C7 | O1 | 120.8° | 120.0° |
| N1 | C7 | N2 | 117.9° | 120.0° |
| C7 | N1 | H12 | 117.8° | 120.1° |
| C9 | N2 | C7 | 115.8° | 120.0° |
| C9 | N2 | C8 | 115.7° | 120.0° |
| N2 | C9 | H16 | 109.4° | 109.5° |
| N2 | C9 | H15 | 109.4° | 109.5° |
| O3 | C27 | O2 | 117.2° | 120.0° |
| O3 | C27 | C26 | 125.9° | 120.0° |
| C2 | C3 | C4 | 111.3° | 109.5° |
| C3 | C2 | C1 | 108.8° | 109.5° |
| C3 | C2 | H3 | 108.3° | 109.5° |
| C2 | C3 | H4 | 109.0° | 109.5° |
| C2 | C3 | H5 | 109.0° | 109.5° |
| C3 | C4 | C55 | 110.2° | 109.5° |
| C4 | C3 | H4 | 109.0° | 109.5° |
| C4 | C3 | H5 | 109.0° | 109.4° |
| C3 | C4 | H7 | 109.3° | 109.4° |
| C3 | C4 | H6 | 109.3° | 109.5° |
| C11 | C12 | C13 | 112.2° | 109.4° |
| C12 | C11 | H20 | 108.9° | 109.5° |
| C12 | C11 | H19 | 108.8° | 109.5° |
| C11 | C12 | H22 | 108.8° | 109.5° |
| C11 | C12 | H21 | 108.8° | 109.5° |
| C15 | C16 | C17 | 110.5° | 109.4° |
| C16 | C15 | H26 | 109.2° | 109.4° |
| C16 | C15 | H27 | 109.2° | 109.5° |
| C15 | C16 | H28 | 109.2° | 109.5° |
| C15 | C16 | H29 | 109.2° | 109.4° |
| C2 | C1 | C6 | 112.0° | 109.5° |
| C2 | C1 | H2 | 108.8° | 109.4° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C1 | C2 | H3 | 108.2° | 109.4° |
| O2 | C27 | C26 | 116.8° | 120.0° |
| C27 | O2 | H36 | 109.5° | 117.0° |
| C27 | C26 | C29 | 110.4° | 109.5° |
| C27 | C26 | C28 | 109.6° | 109.5° |
| C27 | C26 | S1 | 104.4° | 109.4° |
| C12 | C13 | C18 | 110.6° | 109.4° |
| C13 | C12 | H22 | 108.8° | 109.5° |
| C13 | C12 | H21 | 108.8° | 109.5° |
| C12 | C13 | H23 | 109.0° | 109.5° |
| C13 | C18 | C17 | 111.1° | 109.4° |
| C18 | C13 | H23 | 109.0° | 109.5° |
| C13 | C18 | H32 | 109.1° | 109.5° |
| C13 | C18 | H33 | 109.1° | 109.5° |
| O1 | C7 | N2 | 121.3° | 120.0° |
| C7 | N2 | C8 | 118.1° | 120.0° |
| C29 | C26 | C28 | 108.6° | 109.5° |
| C29 | C26 | S1 | 111.8° | 109.4° |
| C26 | C29 | HJ4 | 109.5° | 109.5° |
| C26 | C29 | HJ5 | 109.5° | 109.4° |
| C26 | C29 | HJ3 | 109.4° | 109.5° |
| C28 | C26 | S1 | 112.0° | 109.5° |
| C26 | C28 | HJ2 | 109.5° | 109.5° |
| C26 | C28 | HJ1 | 109.5° | 109.5° |
| C26 | C28 | HJ0 | 109.5° | 109.5° |
| N2 | C8 | C19 | 115.6° | 109.5° |
| N2 | C8 | H14 | 107.9° | 109.5° |
| N2 | C8 | H13 | 107.9° | 109.5° |
| C26 | S1 | C23 | 101.2° | 103.0° |
| C4 | C55 | C6 | 110.2° | 109.5° |
| C55 | C4 | H7 | 109.3° | 109.4° |
| C55 | C4 | H6 | 109.3° | 109.5° |
| C4 | C55 | H9 | 109.3° | 109.5° |
| C4 | C55 | H8 | 109.3° | 109.4° |
| C16 | C17 | C18 | 110.6° | 109.5° |
| C17 | C16 | H28 | 109.2° | 109.5° |
| C17 | C16 | H29 | 109.2° | 109.5° |
| C16 | C17 | H31 | 109.2° | 109.4° |
| C16 | C17 | H30 | 109.2° | 109.5° |
| C18 | C17 | H31 | 109.2° | 109.5° |
| C18 | C17 | H30 | 109.2° | 109.5° |
| C17 | C18 | H32 | 109.1° | 109.5° |
| C17 | C18 | H33 | 109.1° | 109.5° |
| C1 | C6 | C55 | 111.0° | 109.5° |
| C6 | C1 | H2 | 108.8° | 109.4° |
| C6 | C1 | H1 | 108.8° | 109.5° |
| C1 | C6 | H11 | 109.1° | 109.5° |
| C1 | C6 | H10 | 109.1° | 109.4° |
| C8 | C19 | C20 | 112.3° | 109.5° |
| C8 | C19 | H35 | 108.8° | 109.5° |
| C8 | C19 | H34 | 108.8° | 109.5° |
| C19 | C8 | H14 | 107.9° | 109.5° |
| C19 | C8 | H13 | 107.9° | 109.5° |
| C6 | C55 | H9 | 109.3° | 109.5° |
| C6 | C55 | H8 | 109.3° | 109.4° |
| C55 | C6 | H11 | 109.1° | 109.5° |
| C55 | C6 | H10 | 109.1° | 109.4° |
| S1 | C23 | C22 | 123.6° | 120.1° |
| S1 | C23 | C24 | 117.1° | 120.1° |
| C23 | C22 | C21 | 120.3° | 119.9° |
| C22 | C23 | C24 | 119.2° | 119.8° |
| C23 | C22 | HL7 | 119.9° | 120.0° |
| C22 | C21 | C20 | 120.0° | 120.1° |
| C22 | C21 | HK6 | 120.0° | 120.0° |
| C21 | C22 | HL7 | 119.8° | 120.1° |
| C23 | C24 | C25 | 120.5° | 119.9° |
| C23 | C24 | HL8 | 119.7° | 120.0° |
| C21 | C20 | C25 | 119.8° | 120.2° |
| C21 | C20 | C19 | 120.2° | 119.9° |
| C20 | C21 | HK6 | 120.0° | 119.9° |
| C24 | C25 | C20 | 120.1° | 120.1° |
| C25 | C24 | HL8 | 119.8° | 120.0° |
| C24 | C25 | HK9 | 120.0° | 119.9° |
| C25 | C20 | C19 | 119.9° | 119.9° |
| C20 | C25 | HK9 | 119.9° | 120.0° |
| C20 | C19 | H35 | 108.8° | 109.5° |
| C20 | C19 | H34 | 108.8° | 109.5° |
| H2 | C1 | H1 | 109.5° | 109.5° |
| H18 | C10 | H17 | 109.5° | 109.5° |
| H20 | C11 | H19 | 109.5° | 109.4° |
| H22 | C12 | H21 | 109.5° | 109.5° |
| H24 | C14 | H25 | 109.4° | 109.4° |
| H26 | C15 | H27 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.5° |
| H31 | C17 | H30 | 109.4° | 109.5° |
| H32 | C18 | H33 | 109.5° | 109.5° |
| H35 | C19 | H34 | 109.5° | 109.4° |
| HJ2 | C28 | HJ1 | 109.4° | 109.4° |
| HJ2 | C28 | HJ0 | 109.5° | 109.4° |
| HJ1 | C28 | HJ0 | 109.4° | 109.5° |
| HJ4 | C29 | HJ5 | 109.5° | 109.4° |
| HJ4 | C29 | HJ3 | 109.5° | 109.5° |
| HJ5 | C29 | HJ3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.4° |
| H7 | C4 | H6 | 109.4° | 109.5° |
| H9 | C55 | H8 | 109.5° | 109.4° |
| H11 | C6 | H10 | 109.5° | 109.5° |
| H14 | C8 | H13 | 109.5° | 109.4° |
| H16 | C9 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H18 | 120.4° | 120.0° |
| C9 | C10 | C11 | H17 | 120.4° | 120.0° |
| C10 | C9 | N2 | H16 | 120.1° | 120.0° |
| C10 | C9 | N2 | H15 | 120.0° | 119.9° |
| C9 | C10 | C11 | C12 | 54.9° | 180.0° |
| C10 | C9 | N2 | C7 | 88.7° | 90.0° |
| C10 | C9 | N2 | C8 | 127.0° | 90.0° |
| C9 | C10 | H18 | H17 | 118.9° | 120.0° |
| C9 | C10 | C11 | H20 | 65.4° | 60.0° |
| C9 | C10 | C11 | H19 | 175.3° | 59.9° |
| C10 | C9 | H16 | H15 | 119.8° | 119.9° |
| C11 | C10 | C9 | N2 | 49.0° | 180.0° |
| C10 | C11 | C12 | H20 | 120.4° | 120.0° |
| C10 | C11 | C12 | H19 | 120.4° | 120.0° |
| C10 | C11 | C12 | C13 | 61.0° | 180.0° |
| C11 | C10 | H18 | H17 | 118.9° | 120.0° |
| C10 | C11 | H20 | H19 | 118.9° | 119.9° |
| C10 | C11 | C12 | H22 | 59.4° | 60.0° |
| C10 | C11 | C12 | H21 | 178.5° | 60.0° |
| C11 | C10 | C9 | H16 | 71.1° | 60.0° |
| C11 | C10 | C9 | H15 | 169.0° | 60.0° |
| C15 | C14 | C13 | H24 | 120.2° | 120.0° |
| C15 | C14 | C13 | H25 | 120.2° | 120.0° |
| C14 | C15 | C16 | H26 | 120.1° | 120.0° |
| C14 | C15 | C16 | H27 | 120.2° | 120.0° |
| C15 | C14 | C13 | C12 | 63.0° | 180.0° |
| C15 | C14 | C13 | C18 | 58.5° | 60.1° |
| C14 | C15 | C16 | C17 | 57.0° | 60.0° |
| C15 | C14 | C13 | H23 | 177.0° | 60.0° |
| C15 | C14 | H24 | H25 | 119.4° | 120.0° |
| C14 | C15 | H26 | H27 | 119.5° | 120.0° |
| C14 | C15 | C16 | H28 | 177.2° | 60.0° |
| C14 | C15 | C16 | H29 | 63.1° | 180.0° |
| C14 | C13 | C12 | C11 | 48.8° | 65.0° |
| C13 | C14 | C15 | C16 | 58.7° | 60.0° |
| C14 | C13 | C12 | C18 | 120.2° | 120.0° |
| C14 | C13 | C12 | H23 | 120.0° | 120.0° |
| C14 | C13 | C18 | H23 | 118.4° | 120.0° |
| C14 | C13 | C18 | C17 | 58.3° | 60.0° |
| C14 | C13 | C12 | H22 | 169.2° | 175.0° |
| C14 | C13 | C12 | H21 | 71.6° | 55.0° |
| C13 | C14 | H24 | H25 | 119.4° | 120.0° |
| C13 | C14 | C15 | H26 | 61.5° | 180.0° |
| C13 | C14 | C15 | H27 | 178.9° | 60.0° |
| C14 | C13 | C18 | H32 | 62.0° | 180.0° |
| C14 | C13 | C18 | H33 | 178.5° | 60.0° |
| C2 | N1 | C7 | H12 | 180.0° | 179.9° |
| N1 | C2 | C3 | C1 | 124.1° | 120.0° |
| N1 | C2 | C3 | H3 | 118.5° | 120.1° |
| N1 | C2 | C3 | C4 | 67.9° | 180.0° |
| N1 | C2 | C1 | H3 | 120.4° | 120.0° |
| C2 | N1 | C7 | O1 | 91.0° | 0.0° |
| C2 | N1 | C7 | N2 | 90.4° | 180.0° |
| N1 | C2 | C1 | C6 | 68.1° | 180.0° |
| N1 | C2 | C1 | H2 | 52.2° | 60.0° |
| N1 | C2 | C1 | H1 | 171.5° | 60.0° |
| N1 | C2 | C3 | H4 | 171.8° | 60.0° |
| N1 | C2 | C3 | H5 | 52.4° | 60.0° |
| N1 | C7 | N2 | C9 | 48.8° | 0.0° |
| C7 | N1 | C2 | C3 | 100.9° | 85.0° |
| C7 | N1 | C2 | C1 | 20.8° | 155.0° |
| N1 | C7 | O1 | N2 | 178.6° | 180.0° |
| N1 | C7 | N2 | C8 | 94.6° | 180.0° |
| C7 | N1 | C2 | H3 | 140.9° | 35.1° |
| C9 | N2 | C7 | O1 | 129.8° | 180.0° |
| C9 | N2 | C7 | C8 | 143.4° | 180.0° |
| C9 | N2 | C8 | C19 | 110.6° | 90.0° |
| N2 | C9 | C10 | H18 | 71.4° | 60.0° |
| N2 | C9 | C10 | H17 | 169.4° | 60.0° |
| C9 | N2 | C8 | H14 | 10.3° | 149.9° |
| C9 | N2 | C8 | H13 | 128.5° | 30.1° |
| N2 | C9 | H16 | H15 | 119.8° | 120.1° |
| O3 | C27 | O2 | C26 | 179.9° | 180.0° |
| O3 | C27 | C26 | C29 | 133.7° | 120.0° |
| O3 | C27 | C26 | C28 | 14.2° | 120.0° |
| O3 | C27 | C26 | S1 | 105.9° | 0.0° |
| O3 | C27 | O2 | H36 | 0.0° | 0.0° |
| C2 | C3 | C4 | H4 | 120.3° | 120.0° |
| C2 | C3 | C4 | H5 | 120.3° | 120.0° |
| C3 | C2 | C1 | H3 | 117.4° | 120.0° |
| C2 | C3 | C4 | C55 | 59.9° | 59.9° |
| C3 | C2 | C1 | C6 | 54.0° | 59.9° |
| C3 | C2 | C1 | H2 | 174.4° | 60.0° |
| C3 | C2 | C1 | H1 | 66.3° | 180.0° |
| C2 | C3 | H4 | H5 | 119.1° | 120.0° |
| C2 | C3 | C4 | H7 | 180.0° | 60.0° |
| C2 | C3 | C4 | H6 | 60.3° | 180.0° |
| C3 | C2 | N1 | H12 | 79.1° | 94.9° |
| C4 | C3 | C2 | C1 | 56.2° | 60.0° |
| C3 | C4 | C55 | H7 | 120.1° | 119.9° |
| C3 | C4 | C55 | H6 | 120.1° | 120.1° |
| C3 | C4 | C55 | C6 | 59.6° | 59.9° |
| C4 | C3 | C2 | H3 | 173.6° | 60.0° |
| C4 | C3 | H4 | H5 | 119.1° | 119.9° |
| C3 | C4 | H7 | H6 | 119.7° | 120.1° |
| C3 | C4 | C55 | H9 | 60.5° | 180.0° |
| C3 | C4 | C55 | H8 | 179.7° | 60.1° |
| C11 | C12 | C13 | H22 | 120.4° | 120.0° |
| C11 | C12 | C13 | H21 | 120.4° | 120.0° |
| C11 | C12 | C13 | C18 | 169.0° | 175.0° |
| C12 | C11 | C10 | H18 | 175.3° | 60.0° |
| C12 | C11 | C10 | H17 | 65.4° | 60.0° |
| C12 | C11 | H20 | H19 | 118.9° | 120.1° |
| C11 | C12 | H22 | H21 | 118.8° | 120.1° |
| C11 | C12 | C13 | H23 | 71.2° | 55.0° |
| C15 | C16 | C17 | H28 | 120.2° | 120.0° |
| C15 | C16 | C17 | H29 | 120.2° | 119.9° |
| C15 | C16 | C17 | C18 | 56.7° | 60.1° |
| C16 | C15 | C14 | H24 | 61.5° | 60.0° |
| C16 | C15 | C14 | H25 | 178.9° | 179.9° |
| C16 | C15 | H26 | H27 | 119.5° | 120.0° |
| C15 | C16 | H28 | H29 | 119.5° | 120.0° |
| C15 | C16 | C17 | H31 | 63.5° | 180.0° |
| C15 | C16 | C17 | H30 | 176.8° | 60.0° |
| C2 | C1 | C6 | H2 | 120.4° | 120.0° |
| C2 | C1 | C6 | H1 | 120.4° | 120.0° |
| C2 | C1 | C6 | C55 | 55.7° | 59.9° |
| C2 | C1 | H2 | H1 | 118.9° | 120.0° |
| C1 | C2 | C3 | H4 | 64.1° | 180.0° |
| C1 | C2 | C3 | H5 | 176.5° | 60.0° |
| C2 | C1 | C6 | H11 | 64.6° | 180.0° |
| C2 | C1 | C6 | H10 | 175.9° | 60.0° |
| C1 | C2 | N1 | H12 | 159.2° | 25.1° |
| O2 | C27 | C26 | C29 | 46.4° | 60.0° |
| O2 | C27 | C26 | C28 | 165.9° | 60.0° |
| O2 | C27 | C26 | S1 | 74.0° | 180.0° |
| C27 | C26 | C29 | C28 | 120.1° | 120.0° |
| C27 | C26 | C29 | S1 | 115.8° | 119.9° |
| C27 | C26 | C28 | S1 | 115.3° | 120.0° |
| C27 | C26 | S1 | C23 | 33.5° | 179.5° |
| C27 | C26 | C28 | HJ2 | 180.0° | 65.7° |
| C27 | C26 | C28 | HJ1 | 60.0° | 54.3° |
| C27 | C26 | C28 | HJ0 | 60.0° | 174.4° |
| C27 | C26 | C29 | HJ4 | 180.0° | 174.4° |
| C27 | C26 | C29 | HJ5 | 60.0° | 54.5° |
| C27 | C26 | C29 | HJ3 | 60.0° | 65.5° |
| C26 | C27 | O2 | H36 | 179.9° | 180.0° |
| C12 | C13 | C18 | H23 | 119.8° | 120.0° |
| C12 | C13 | C18 | C17 | 63.5° | 180.0° |
| C13 | C12 | C11 | H20 | 178.6° | 60.0° |
| C13 | C12 | C11 | H19 | 59.3° | 60.0° |
| C13 | C12 | H22 | H21 | 118.8° | 120.0° |
| C12 | C13 | C14 | H24 | 176.7° | 60.0° |
| C12 | C13 | C14 | H25 | 57.2° | 60.0° |
| C12 | C13 | C18 | H32 | 176.2° | 60.0° |
| C12 | C13 | C18 | H33 | 56.7° | 60.0° |
| C13 | C18 | C17 | C16 | 58.1° | 60.0° |
| C13 | C18 | C17 | H32 | 120.3° | 120.0° |
| C13 | C18 | C17 | H33 | 120.2° | 120.0° |
| C18 | C13 | C12 | H22 | 70.6° | 55.0° |
| C18 | C13 | C12 | H21 | 48.6° | 65.0° |
| C18 | C13 | C14 | H24 | 61.7° | 60.0° |
| C18 | C13 | C14 | H25 | 178.7° | 180.0° |
| C13 | C18 | C17 | H31 | 62.1° | 180.0° |
| C13 | C18 | C17 | H30 | 178.3° | 60.0° |
| C13 | C18 | H32 | H33 | 119.3° | 120.0° |
| O1 | C7 | N2 | C8 | 86.8° | 0.1° |
| O1 | C7 | N1 | H12 | 89.0° | 179.9° |
| C7 | N2 | C8 | C19 | 105.9° | 90.0° |
| C7 | N2 | C8 | H14 | 133.2° | 30.1° |
| C7 | N2 | C8 | H13 | 15.0° | 150.0° |
| C7 | N2 | C9 | H16 | 151.3° | 30.0° |
| C7 | N2 | C9 | H15 | 31.4° | 150.0° |
| N2 | C7 | N1 | H12 | 89.6° | 0.0° |
| C29 | C26 | C28 | S1 | 124.0° | 120.0° |
| C29 | C26 | S1 | C23 | 152.9° | 60.5° |
| C29 | C26 | C28 | HJ2 | 59.3° | 174.3° |
| C29 | C26 | C28 | HJ1 | 60.7° | 65.7° |
| C29 | C26 | C28 | HJ0 | 179.3° | 54.3° |
| C26 | C29 | HJ4 | HJ5 | 120.0° | 119.9° |
| C26 | C29 | HJ4 | HJ3 | 120.0° | 120.1° |
| C26 | C29 | HJ5 | HJ3 | 120.0° | 120.0° |
| C28 | C26 | S1 | C23 | 85.0° | 59.5° |
| C26 | C28 | HJ2 | HJ1 | 120.0° | 120.0° |
| C26 | C28 | HJ2 | HJ0 | 120.0° | 120.0° |
| C26 | C28 | HJ1 | HJ0 | 120.0° | 120.1° |
| C28 | C26 | C29 | HJ4 | 59.8° | 54.4° |
| C28 | C26 | C29 | HJ5 | 179.8° | 65.6° |
| C28 | C26 | C29 | HJ3 | 60.1° | 174.4° |
| N2 | C8 | C19 | H14 | 120.9° | 120.0° |
| N2 | C8 | C19 | H13 | 120.9° | 120.0° |
| N2 | C8 | C19 | C20 | 36.5° | 180.0° |
| N2 | C8 | C19 | H35 | 84.0° | 59.9° |
| N2 | C8 | C19 | H34 | 156.9° | 60.0° |
| N2 | C8 | H14 | H13 | 117.2° | 119.9° |
| C8 | N2 | C9 | H16 | 7.0° | 150.0° |
| C8 | N2 | C9 | H15 | 113.0° | 29.9° |
| C26 | S1 | C23 | C22 | 73.7° | 90.2° |
| C26 | S1 | C23 | C24 | 105.9° | 89.7° |
| S1 | C26 | C28 | HJ2 | 64.7° | 54.3° |
| S1 | C26 | C28 | HJ1 | 175.3° | 174.3° |
| S1 | C26 | C28 | HJ0 | 55.4° | 65.7° |
| S1 | C26 | C29 | HJ4 | 64.2° | 65.6° |
| S1 | C26 | C29 | HJ5 | 55.8° | 174.4° |
| S1 | C26 | C29 | HJ3 | 175.8° | 54.4° |
| C4 | C55 | C6 | C1 | 57.5° | 59.9° |
| C4 | C55 | C6 | H9 | 120.1° | 120.1° |
| C4 | C55 | C6 | H8 | 120.1° | 120.0° |
| C55 | C4 | C3 | H4 | 60.4° | 180.0° |
| C55 | C4 | C3 | H5 | 179.9° | 60.1° |
| C55 | C4 | H7 | H6 | 119.7° | 120.0° |
| C4 | C55 | H9 | H8 | 119.7° | 119.9° |
| C4 | C55 | C6 | H11 | 62.7° | 180.0° |
| C4 | C55 | C6 | H10 | 177.8° | 60.0° |
| C16 | C17 | C18 | H31 | 120.2° | 119.9° |
| C16 | C17 | C18 | H30 | 120.2° | 120.1° |
| C17 | C16 | C15 | H26 | 63.1° | 180.0° |
| C17 | C16 | C15 | H27 | 177.2° | 60.0° |
| C17 | C16 | H28 | H29 | 119.5° | 120.1° |
| C16 | C17 | H31 | H30 | 119.4° | 120.0° |
| C16 | C17 | C18 | H32 | 62.2° | 180.0° |
| C16 | C17 | C18 | H33 | 178.3° | 59.9° |
| C17 | C18 | C13 | H23 | 176.7° | 60.0° |
| C18 | C17 | C16 | H28 | 176.8° | 60.0° |
| C18 | C17 | C16 | H29 | 63.5° | 180.0° |
| C18 | C17 | H31 | H30 | 119.5° | 120.0° |
| C17 | C18 | H32 | H33 | 119.3° | 120.0° |
| C1 | C6 | C55 | H11 | 120.2° | 120.1° |
| C1 | C6 | C55 | H10 | 120.2° | 119.9° |
| C6 | C1 | H2 | H1 | 118.8° | 120.0° |
| C6 | C1 | C2 | H3 | 171.5° | 60.0° |
| C1 | C6 | C55 | H9 | 62.6° | 180.0° |
| C1 | C6 | C55 | H8 | 177.6° | 60.0° |
| C1 | C6 | H11 | H10 | 119.3° | 120.0° |
| C8 | C19 | C20 | C21 | 119.9° | 89.8° |
| C8 | C19 | C20 | C25 | 59.8° | 90.0° |
| C8 | C19 | C20 | H35 | 120.4° | 120.0° |
| C8 | C19 | C20 | H34 | 120.4° | 120.0° |
| C8 | C19 | H35 | H34 | 118.7° | 120.0° |
| C19 | C8 | H14 | H13 | 117.2° | 120.0° |
| C55 | C6 | C1 | H2 | 176.0° | 60.0° |
| C55 | C6 | C1 | H1 | 64.8° | 180.0° |
| C6 | C55 | C4 | H7 | 179.7° | 60.0° |
| C6 | C55 | C4 | H6 | 60.5° | 180.0° |
| C6 | C55 | H9 | H8 | 119.7° | 120.0° |
| C55 | C6 | H11 | H10 | 119.3° | 119.9° |
| S1 | C23 | C22 | C24 | 179.6° | 179.9° |
| S1 | C23 | C22 | C21 | 179.4° | 180.0° |
| S1 | C23 | C24 | C25 | 179.6° | 180.0° |
| S1 | C23 | C22 | HL7 | 0.6° | 0.1° |
| S1 | C23 | C24 | HL8 | 0.4° | 0.1° |
| C23 | C22 | C21 | HL7 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C22 | C23 | C24 | C25 | 0.1° | 0.1° |
| C23 | C22 | C21 | HK6 | 179.9° | 180.0° |
| C22 | C23 | C24 | HL8 | 179.9° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.1° |
| C22 | C21 | C20 | HK6 | 180.0° | 180.0° |
| C22 | C21 | C20 | C25 | 0.1° | 0.0° |
| C22 | C21 | C20 | C19 | 179.6° | 179.7° |
| C23 | C24 | C25 | HL8 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 0.2° | 0.0° |
| C24 | C23 | C22 | HL7 | 179.8° | 180.0° |
| C23 | C24 | C25 | HK9 | 179.8° | 179.7° |
| C21 | C20 | C25 | C24 | 0.3° | 0.1° |
| C21 | C20 | C25 | C19 | 179.7° | 179.8° |
| C21 | C20 | C19 | H35 | 0.5° | 30.3° |
| C21 | C20 | C19 | H34 | 119.6° | 150.2° |
| C20 | C21 | C22 | HL7 | 179.9° | 180.0° |
| C21 | C20 | C25 | HK9 | 179.7° | 179.7° |
| C24 | C25 | C20 | HK9 | 180.0° | 179.7° |
| C24 | C25 | C20 | C19 | 179.4° | 179.7° |
| C25 | C20 | C19 | H35 | 179.8° | 150.0° |
| C25 | C20 | C19 | H34 | 60.6° | 30.0° |
| C25 | C20 | C21 | HK6 | 179.9° | 179.9° |
| C20 | C25 | C24 | HL8 | 179.8° | 180.0° |
| C20 | C19 | H35 | H34 | 118.7° | 120.0° |
| C19 | C20 | C21 | HK6 | 0.4° | 0.3° |
| C19 | C20 | C25 | HK9 | 0.6° | 0.1° |
| C20 | C19 | C8 | H14 | 157.4° | 59.9° |
| C20 | C19 | C8 | H13 | 84.4° | 60.0° |
| H2 | C1 | C2 | H3 | 68.1° | 180.0° |
| H2 | C1 | C6 | H11 | 55.8° | 60.0° |
| H2 | C1 | C6 | H10 | 63.7° | 179.9° |
| H1 | C1 | C2 | H3 | 51.1° | 60.0° |
| H1 | C1 | C6 | H11 | 175.0° | 60.0° |
| H1 | C1 | C6 | H10 | 55.5° | 60.0° |
| H18 | C10 | C11 | H20 | 54.9° | 60.0° |
| H18 | C10 | C11 | H19 | 64.3° | 179.9° |
| H18 | C10 | C9 | H16 | 168.6° | 180.0° |
| H18 | C10 | C9 | H15 | 48.7° | 60.0° |
| H17 | C10 | C11 | H20 | 174.2° | 180.0° |
| H17 | C10 | C11 | H19 | 54.9° | 60.1° |
| H17 | C10 | C9 | H16 | 49.3° | 60.1° |
| H17 | C10 | C9 | H15 | 70.6° | 180.0° |
| H20 | C11 | C12 | H22 | 61.0° | 180.0° |
| H20 | C11 | C12 | H21 | 58.2° | 60.0° |
| H19 | C11 | C12 | H22 | 179.7° | 60.0° |
| H19 | C11 | C12 | H21 | 61.1° | 180.0° |
| H22 | C12 | C13 | H23 | 49.2° | 64.9° |
| H21 | C12 | C13 | H23 | 168.4° | 175.0° |
| H23 | C13 | C14 | H24 | 56.7° | NaN° |
| H23 | C13 | C14 | H25 | 62.8° | 60.0° |
| H23 | C13 | C18 | H32 | 56.4° | 60.0° |
| H23 | C13 | C18 | H33 | 63.1° | 180.0° |
| H24 | C14 | C15 | H26 | 178.3° | 60.0° |
| H24 | C14 | C15 | H27 | 58.6° | 180.0° |
| H25 | C14 | C15 | H26 | 58.8° | 60.0° |
| H25 | C14 | C15 | H27 | 60.9° | 60.0° |
| H26 | C15 | C16 | H28 | 57.0° | 60.0° |
| H26 | C15 | C16 | H29 | 176.7° | 60.0° |
| H27 | C15 | C16 | H28 | 62.7° | 180.0° |
| H27 | C15 | C16 | H29 | 57.0° | 60.0° |
| H28 | C16 | C17 | H31 | 56.6° | 60.0° |
| H28 | C16 | C17 | H30 | 63.0° | 180.0° |
| H29 | C16 | C17 | H31 | 176.3° | 60.0° |
| H29 | C16 | C17 | H30 | 56.7° | 59.9° |
| H31 | C17 | C18 | H32 | 177.7° | 60.0° |
| H31 | C17 | C18 | H33 | 58.1° | 60.0° |
| H30 | C17 | C18 | H32 | 58.0° | 60.0° |
| H30 | C17 | C18 | H33 | 61.5° | 180.0° |
| H35 | C19 | C8 | H14 | 36.9° | 180.0° |
| H35 | C19 | C8 | H13 | 155.1° | 60.1° |
| H34 | C19 | C8 | H14 | 82.2° | 60.1° |
| H34 | C19 | C8 | H13 | 36.0° | 180.0° |
| H3 | C2 | C3 | H4 | 53.3° | 60.1° |
| H3 | C2 | C3 | H5 | 66.1° | 180.0° |
| H3 | C2 | N1 | H12 | 39.1° | 145.0° |
| HK6 | C21 | C22 | HL7 | 0.1° | 0.1° |
| HL8 | C24 | C25 | HK9 | 0.2° | 0.3° |
| HJ2 | C28 | HJ1 | HJ0 | 120.0° | 119.9° |
| HJ4 | C29 | HJ5 | HJ3 | 120.0° | 120.0° |
| H4 | C3 | C4 | H7 | 59.7° | 60.1° |
| H4 | C3 | C4 | H6 | 179.5° | 60.0° |
| H5 | C3 | C4 | H7 | 59.8° | 180.0° |
| H5 | C3 | C4 | H6 | 60.0° | 60.0° |
| H7 | C4 | C55 | H9 | 59.6° | 60.1° |
| H7 | C4 | C55 | H8 | 60.2° | 180.0° |
| H6 | C4 | C55 | H9 | 179.4° | 59.9° |
| H6 | C4 | C55 | H8 | 59.5° | 60.0° |
| H9 | C55 | C6 | H11 | 177.2° | 59.9° |
| H9 | C55 | C6 | H10 | 57.6° | 60.0° |
| H8 | C55 | C6 | H11 | 57.4° | 60.0° |
| H8 | C55 | C6 | H10 | 62.1° | 180.0° |
