SJI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C13 | sing | 1.51Å | 1.49Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C13 | N12 | doub | 1.30Å | 1.31Å | Aromatic |
| C13 | N14 | sing | 1.36Å | 1.39Å | Aromatic |
| N12 | C10 | sing | 1.36Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C15 | sing | 1.53Å | 1.53Å | |
| C20 | N19 | sing | 1.47Å | 1.47Å | |
| N14 | C15 | sing | 1.47Å | 1.48Å | |
| N14 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | N19 | sing | 1.47Å | 1.47Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| N19 | C18 | sing | 1.47Å | 1.47Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | doub | 1.36Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.53Å | 1.53Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C6 | C4 | sing | 1.48Å | 1.50Å | |
| C30 | C25 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C25 | O31 | sing | 1.43Å | 1.44Å | |
| N3 | C4 | sing | 1.35Å | 1.34Å | |
| N3 | C2 | sing | 1.47Å | 1.46Å | |
| C4 | O5 | doub | 1.22Å | 1.23Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.48Å | |
| C32 | H1 | sing | 1.09Å | 1.10Å | |
| C32 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H3 | sing | 1.09Å | 1.10Å | |
| N3 | H4 | sing | 0.97Å | 1.00Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.08Å | 1.08Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C2 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C30 | H35 | sing | 1.09Å | 1.10Å | |
| C30 | H36 | sing | 1.09Å | 1.10Å | |
| O31 | H37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C13 | N12 | 124.6° | 124.9° |
| C32 | C13 | N14 | 123.4° | 125.0° |
| C13 | C32 | H1 | 109.5° | 109.5° |
| C13 | C32 | H2 | 109.4° | 109.4° |
| C13 | C32 | H3 | 109.5° | 109.4° |
| C23 | C21 | C20 | 110.9° | 109.5° |
| C23 | C21 | C15 | 114.7° | 109.5° |
| C23 | C21 | H8 | 107.2° | 109.5° |
| C21 | C23 | H24 | 109.5° | 109.5° |
| C21 | C23 | H25 | 109.5° | 109.5° |
| C21 | C23 | H26 | 109.4° | 109.5° |
| N12 | C13 | N14 | 111.9° | 110.1° |
| C13 | N12 | C10 | 105.8° | 109.5° |
| C13 | N14 | C15 | 126.5° | 126.3° |
| C13 | N14 | C9 | 107.0° | 107.4° |
| N12 | C10 | C9 | 110.3° | 107.0° |
| N12 | C10 | C11 | 130.1° | 133.5° |
| C20 | C21 | C15 | 109.5° | 109.3° |
| C21 | C20 | N19 | 114.4° | 109.5° |
| C21 | C20 | H6 | 108.2° | 109.5° |
| C21 | C20 | H7 | 108.2° | 109.5° |
| C20 | C21 | H8 | 107.0° | 109.5° |
| C21 | C15 | N14 | 113.3° | 109.5° |
| C21 | C15 | C17 | 109.9° | 109.2° |
| C15 | C21 | H8 | 107.1° | 109.5° |
| C21 | C15 | H20 | 106.5° | 109.5° |
| C20 | N19 | C24 | 110.4° | 111.0° |
| C20 | N19 | C18 | 110.3° | 111.2° |
| N19 | C20 | H6 | 108.2° | 109.4° |
| N19 | C20 | H7 | 108.2° | 109.5° |
| C15 | N14 | C9 | 126.4° | 126.3° |
| N14 | C15 | C17 | 113.1° | 109.5° |
| N14 | C15 | H20 | 107.0° | 109.5° |
| N14 | C9 | C10 | 104.9° | 106.0° |
| N14 | C9 | C8 | 132.9° | 133.9° |
| C15 | C17 | C18 | 112.0° | 109.3° |
| C17 | C15 | H20 | 106.5° | 109.6° |
| C15 | C17 | H21 | 108.8° | 109.6° |
| C15 | C17 | H22 | 108.8° | 109.5° |
| C9 | C10 | C11 | 119.5° | 119.5° |
| C10 | C9 | C8 | 122.2° | 120.2° |
| C10 | C11 | C6 | 118.9° | 119.5° |
| C10 | C11 | H19 | 120.6° | 120.3° |
| C9 | C8 | C7 | 117.9° | 120.2° |
| C9 | C8 | H9 | 121.1° | 119.9° |
| C11 | C6 | C7 | 120.2° | 120.2° |
| C11 | C6 | C4 | 120.7° | 119.9° |
| C6 | C11 | H19 | 120.5° | 120.2° |
| N19 | C24 | C25 | 117.3° | 109.5° |
| C24 | N19 | C18 | 108.5° | 111.0° |
| N19 | C24 | H27 | 107.5° | 109.5° |
| N19 | C24 | H28 | 107.5° | 109.5° |
| C24 | C25 | C26 | 111.2° | 109.5° |
| C24 | C25 | C30 | 109.5° | 109.5° |
| C24 | C25 | O31 | 108.8° | 109.4° |
| C25 | C24 | H27 | 107.5° | 109.5° |
| C25 | C24 | H28 | 107.5° | 109.4° |
| N19 | C18 | C17 | 111.5° | 109.5° |
| N19 | C18 | H10 | 109.0° | 109.4° |
| N19 | C18 | H11 | 108.9° | 109.4° |
| C17 | C18 | H10 | 109.0° | 109.4° |
| C17 | C18 | H11 | 109.0° | 109.5° |
| C18 | C17 | H21 | 108.8° | 109.5° |
| C18 | C17 | H22 | 108.8° | 109.5° |
| C8 | C7 | C6 | 121.3° | 120.4° |
| C8 | C7 | H5 | 119.3° | 119.8° |
| C7 | C8 | H9 | 121.1° | 119.9° |
| C25 | C26 | C27 | 116.7° | 109.5° |
| C26 | C25 | C30 | 109.8° | 109.5° |
| C26 | C25 | O31 | 109.8° | 109.4° |
| C25 | C26 | H12 | 107.6° | 109.5° |
| C25 | C26 | H13 | 107.6° | 109.4° |
| C26 | C27 | C28 | 111.2° | 109.5° |
| C27 | C26 | H12 | 107.6° | 109.5° |
| C27 | C26 | H13 | 107.6° | 109.4° |
| C26 | C27 | H29 | 109.0° | 109.4° |
| C26 | C27 | H30 | 109.0° | 109.5° |
| C7 | C6 | C4 | 118.6° | 119.9° |
| C6 | C7 | H5 | 119.4° | 119.8° |
| C6 | C4 | N3 | 117.3° | 120.0° |
| C6 | C4 | O5 | 120.5° | 120.0° |
| C25 | C30 | C29 | 115.5° | 109.5° |
| C30 | C25 | O31 | 107.6° | 109.5° |
| C25 | C30 | H35 | 107.9° | 109.5° |
| C25 | C30 | H36 | 108.0° | 109.5° |
| C30 | C29 | C28 | 111.3° | 109.4° |
| C30 | C29 | H33 | 109.0° | 109.5° |
| C30 | C29 | H34 | 109.1° | 109.4° |
| C29 | C30 | H35 | 108.0° | 109.5° |
| C29 | C30 | H36 | 107.9° | 109.5° |
| C25 | O31 | H37 | 109.5° | 114.1° |
| C4 | N3 | C2 | 123.6° | 120.0° |
| N3 | C4 | O5 | 122.0° | 120.0° |
| C4 | N3 | H4 | 118.2° | 120.1° |
| N3 | C2 | C1 | 111.4° | 109.5° |
| C2 | N3 | H4 | 118.2° | 119.9° |
| N3 | C2 | H17 | 109.0° | 109.5° |
| N3 | C2 | H18 | 109.0° | 109.4° |
| C27 | C28 | C29 | 110.9° | 109.5° |
| C28 | C27 | H29 | 109.0° | 109.5° |
| C28 | C27 | H30 | 109.1° | 109.5° |
| C27 | C28 | H31 | 109.1° | 109.5° |
| C27 | C28 | H32 | 109.1° | 109.5° |
| C29 | C28 | H31 | 109.1° | 109.4° |
| C29 | C28 | H32 | 109.1° | 109.5° |
| C28 | C29 | H33 | 109.0° | 109.5° |
| C28 | C29 | H34 | 109.0° | 109.5° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.5° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| C1 | C2 | H17 | 109.0° | 109.5° |
| C1 | C2 | H18 | 109.0° | 109.5° |
| H1 | C32 | H2 | 109.5° | 109.5° |
| H1 | C32 | H3 | 109.5° | 109.5° |
| H2 | C32 | H3 | 109.5° | 109.5° |
| H6 | C20 | H7 | 109.5° | 109.5° |
| H10 | C18 | H11 | 109.4° | 109.5° |
| H12 | C26 | H13 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.4° | 109.4° |
| H14 | C1 | H16 | 109.5° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.5° |
| H17 | C2 | H18 | 109.5° | 109.4° |
| H21 | C17 | H22 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.4° |
| H24 | C23 | H26 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H29 | C27 | H30 | 109.4° | 109.4° |
| H31 | C28 | H32 | 109.5° | 109.5° |
| H33 | C29 | H34 | 109.5° | 109.5° |
| H35 | C30 | H36 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C13 | N12 | N14 | 179.0° | 180.0° |
| C32 | C13 | N12 | C10 | 178.7° | 180.0° |
| C32 | C13 | N14 | C15 | 2.0° | 0.0° |
| C32 | C13 | N14 | C9 | 178.9° | 180.0° |
| C13 | C32 | H1 | H2 | 120.0° | 120.0° |
| C13 | C32 | H1 | H3 | 120.0° | 120.0° |
| C13 | C32 | H2 | H3 | 120.0° | 119.9° |
| C23 | C21 | C20 | C15 | 127.6° | 119.9° |
| C23 | C21 | C20 | H8 | 116.6° | 120.1° |
| C23 | C21 | C15 | H8 | 118.8° | 120.1° |
| C23 | C21 | C20 | N19 | 177.4° | 179.1° |
| C23 | C21 | C15 | N14 | 54.4° | 62.5° |
| C23 | C21 | C15 | C17 | 178.1° | 177.6° |
| C23 | C21 | C20 | H6 | 56.7° | 60.9° |
| C23 | C21 | C20 | H7 | 61.9° | 59.1° |
| C23 | C21 | C15 | H20 | 63.0° | 57.6° |
| C21 | C23 | H24 | H25 | 120.0° | 119.9° |
| C21 | C23 | H24 | H26 | 120.0° | 120.0° |
| C21 | C23 | H25 | H26 | 120.0° | 120.1° |
| N12 | C13 | N14 | C15 | 177.0° | 180.0° |
| N12 | C13 | N14 | C9 | 0.1° | 0.0° |
| C13 | N12 | C10 | C9 | 0.4° | 0.0° |
| C13 | N12 | C10 | C11 | 178.3° | 179.7° |
| N12 | C13 | C32 | H1 | 0.0° | 86.0° |
| N12 | C13 | C32 | H2 | 120.0° | 154.0° |
| N12 | C13 | C32 | H3 | 120.0° | 34.0° |
| N14 | C13 | N12 | C10 | 0.3° | 0.0° |
| C13 | N14 | C15 | C21 | 120.3° | 120.5° |
| C13 | N14 | C15 | C9 | 176.3° | 180.0° |
| C13 | N14 | C15 | C17 | 113.9° | 119.9° |
| C13 | N14 | C9 | C10 | 0.1° | 0.0° |
| C13 | N14 | C9 | C8 | 177.7° | 180.0° |
| N14 | C13 | C32 | H1 | 178.9° | 94.1° |
| N14 | C13 | C32 | H2 | 58.9° | 26.0° |
| N14 | C13 | C32 | H3 | 61.1° | 145.9° |
| C13 | N14 | C15 | H20 | 3.2° | 0.3° |
| N12 | C10 | C9 | N14 | 0.3° | 0.0° |
| N12 | C10 | C9 | C11 | 178.1° | 179.7° |
| N12 | C10 | C9 | C8 | 177.8° | 180.0° |
| N12 | C10 | C11 | C6 | 175.3° | 179.9° |
| N12 | C10 | C11 | H19 | 4.7° | 0.4° |
| C20 | C21 | C15 | H8 | 115.7° | 120.0° |
| C21 | C20 | N19 | H6 | 120.7° | 120.0° |
| C21 | C20 | N19 | H7 | 120.7° | 120.0° |
| C20 | C21 | C15 | N14 | 179.9° | 177.6° |
| C20 | C21 | C15 | C17 | 52.6° | 57.7° |
| C21 | C20 | N19 | C24 | 176.3° | 174.2° |
| C21 | C20 | N19 | C18 | 56.3° | 61.7° |
| C21 | C20 | H6 | H7 | 117.7° | 120.0° |
| C20 | C21 | C15 | H20 | 62.5° | 62.3° |
| C20 | C21 | C23 | H24 | 180.0° | 60.0° |
| C20 | C21 | C23 | H25 | 60.0° | 180.0° |
| C20 | C21 | C23 | H26 | 60.0° | 60.0° |
| C15 | C21 | C20 | N19 | 54.9° | 59.2° |
| C21 | C15 | N14 | C17 | 125.9° | 119.7° |
| C21 | C15 | N14 | H20 | 117.1° | 120.1° |
| C21 | C15 | N14 | C9 | 63.4° | 59.5° |
| C21 | C15 | C17 | H20 | 115.0° | 119.9° |
| C21 | C15 | C17 | C18 | 55.1° | 57.7° |
| C15 | C21 | C20 | H6 | 175.7° | 179.1° |
| C15 | C21 | C20 | H7 | 65.8° | 60.8° |
| C21 | C15 | C17 | H21 | 175.5° | 62.3° |
| C21 | C15 | C17 | H22 | 65.3° | 177.6° |
| C15 | C21 | C23 | H24 | 55.3° | 179.8° |
| C15 | C21 | C23 | H25 | 64.8° | 60.2° |
| C15 | C21 | C23 | H26 | 175.2° | 59.8° |
| C20 | N19 | C24 | C18 | 121.0° | 124.2° |
| C20 | N19 | C24 | C25 | 124.4° | 77.1° |
| C20 | N19 | C18 | C17 | 55.9° | 61.7° |
| N19 | C20 | H6 | H7 | 117.8° | 119.9° |
| N19 | C20 | C21 | H8 | 60.9° | 60.8° |
| C20 | N19 | C18 | H10 | 176.2° | 58.2° |
| C20 | N19 | C18 | H11 | 64.5° | 178.3° |
| C20 | N19 | C24 | H27 | 3.3° | 42.9° |
| C20 | N19 | C24 | H28 | 114.5° | 163.0° |
| N14 | C15 | C17 | H20 | 117.3° | 120.2° |
| C15 | N14 | C9 | C10 | 176.8° | 180.0° |
| C15 | N14 | C9 | C8 | 5.4° | 0.1° |
| N14 | C15 | C17 | C18 | 177.2° | 177.6° |
| N14 | C15 | C21 | H8 | 64.4° | 57.6° |
| N14 | C15 | C17 | H21 | 56.9° | 57.6° |
| N14 | C15 | C17 | H22 | 62.4° | 62.5° |
| C9 | N14 | C15 | C17 | 62.5° | 60.2° |
| N14 | C9 | C10 | C8 | 178.1° | 180.0° |
| N14 | C9 | C10 | C11 | 178.4° | 179.7° |
| N14 | C9 | C8 | C7 | 175.8° | 179.9° |
| N14 | C9 | C8 | H9 | 4.2° | 0.1° |
| C9 | N14 | C15 | H20 | 179.5° | 179.7° |
| C15 | C17 | C18 | N19 | 57.0° | 59.2° |
| C15 | C17 | C18 | H21 | 120.4° | 120.0° |
| C15 | C17 | C18 | H22 | 120.4° | 120.0° |
| C17 | C15 | C21 | H8 | 63.2° | 62.3° |
| C15 | C17 | C18 | H10 | 177.3° | 60.8° |
| C15 | C17 | C18 | H11 | 63.3° | 179.1° |
| C15 | C17 | H21 | H22 | 118.9° | 120.2° |
| C9 | C10 | C11 | C6 | 2.4° | 0.2° |
| C10 | C9 | C8 | C7 | 1.6° | 0.0° |
| C10 | C9 | C8 | H9 | 178.3° | 180.0° |
| C9 | C10 | C11 | H19 | 177.6° | 180.0° |
| C11 | C10 | C9 | C8 | 0.4° | 0.2° |
| C10 | C11 | C6 | H19 | 180.0° | 179.7° |
| C10 | C11 | C6 | C7 | 2.4° | 0.0° |
| C10 | C11 | C6 | C4 | 169.2° | 179.9° |
| C9 | C8 | C7 | H9 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 1.6° | 0.2° |
| C9 | C8 | C7 | H5 | 178.3° | 180.0° |
| C11 | C6 | C7 | C8 | 0.4° | 0.2° |
| C11 | C6 | C7 | C4 | 171.8° | 180.0° |
| C11 | C6 | C4 | N3 | 14.5° | 180.0° |
| C11 | C6 | C4 | O5 | 160.8° | 0.1° |
| C11 | C6 | C7 | H5 | 179.7° | 180.0° |
| N19 | C24 | C25 | H27 | 121.1° | 120.0° |
| N19 | C24 | C25 | H28 | 121.1° | 120.0° |
| C24 | N19 | C18 | C17 | 176.9° | 174.2° |
| N19 | C24 | C25 | C26 | 64.6° | 174.7° |
| N19 | C24 | C25 | C30 | 173.8° | 54.6° |
| N19 | C24 | C25 | O31 | 56.5° | 65.4° |
| C24 | N19 | C20 | H6 | 63.0° | 54.1° |
| C24 | N19 | C20 | H7 | 55.6° | 65.8° |
| C24 | N19 | C18 | H10 | 62.8° | 65.9° |
| C24 | N19 | C18 | H11 | 56.6° | 54.2° |
| N19 | C24 | H27 | H28 | 116.5° | 120.0° |
| C25 | C24 | N19 | C18 | 114.6° | 158.7° |
| C24 | C25 | C26 | C30 | 121.4° | 120.1° |
| C24 | C25 | C26 | O31 | 120.5° | 119.9° |
| C24 | C25 | C26 | C27 | 167.3° | 180.0° |
| C24 | C25 | C30 | O31 | 118.0° | 120.0° |
| C24 | C25 | C30 | C29 | 169.2° | 180.0° |
| C24 | C25 | C26 | H12 | 71.7° | 60.0° |
| C24 | C25 | C26 | H13 | 46.2° | 60.1° |
| C25 | C24 | H27 | H28 | 116.4° | 120.0° |
| C24 | C25 | C30 | H35 | 48.3° | 60.0° |
| C24 | C25 | C30 | H36 | 70.0° | 59.9° |
| C24 | C25 | O31 | H37 | 180.0° | 180.0° |
| N19 | C18 | C17 | H10 | 120.3° | 119.9° |
| N19 | C18 | C17 | H11 | 120.3° | 120.0° |
| C18 | N19 | C20 | H6 | 177.1° | 178.2° |
| C18 | N19 | C20 | H7 | 64.4° | 58.3° |
| N19 | C18 | H10 | H11 | 119.0° | 120.0° |
| N19 | C18 | C17 | H21 | 177.4° | 60.8° |
| N19 | C18 | C17 | H22 | 63.4° | 179.1° |
| C18 | N19 | C24 | H27 | 124.3° | 81.3° |
| C18 | N19 | C24 | H28 | 6.5° | 38.8° |
| C17 | C18 | H10 | H11 | 119.1° | 120.1° |
| C18 | C17 | C15 | H20 | 59.9° | 62.3° |
| C18 | C17 | H21 | H22 | 118.8° | 120.0° |
| C8 | C7 | C6 | H5 | 180.0° | 179.8° |
| C8 | C7 | C6 | C4 | 171.4° | 179.8° |
| C25 | C26 | C27 | H12 | 121.0° | 120.0° |
| C25 | C26 | C27 | H13 | 121.0° | 119.9° |
| C26 | C25 | C30 | O31 | 119.5° | 120.0° |
| C26 | C25 | C30 | C29 | 46.7° | 60.0° |
| C25 | C26 | C27 | C28 | 51.2° | 59.9° |
| C25 | C26 | H12 | H13 | 116.7° | 120.0° |
| C26 | C25 | C24 | H27 | 56.6° | 65.3° |
| C26 | C25 | C24 | H28 | 174.3° | 54.7° |
| C25 | C26 | C27 | H29 | 69.1° | 60.1° |
| C25 | C26 | C27 | H30 | 171.5° | 180.0° |
| C26 | C25 | C30 | H35 | 74.2° | 60.0° |
| C26 | C25 | C30 | H36 | 167.6° | 180.0° |
| C26 | C25 | O31 | H37 | 58.0° | 60.0° |
| C27 | C26 | C25 | C30 | 45.9° | 59.9° |
| C27 | C26 | C25 | O31 | 72.3° | 60.1° |
| C26 | C27 | C28 | H29 | 120.3° | 120.0° |
| C26 | C27 | C28 | H30 | 120.3° | 120.0° |
| C26 | C27 | C28 | C29 | 54.4° | 60.0° |
| C27 | C26 | H12 | H13 | 116.7° | 120.0° |
| C26 | C27 | H29 | H30 | 119.2° | 119.9° |
| C26 | C27 | C28 | H31 | 174.6° | 180.0° |
| C26 | C27 | C28 | H32 | 65.8° | 60.0° |
| C7 | C6 | C4 | N3 | 173.8° | 0.0° |
| C7 | C6 | C4 | O5 | 10.9° | 180.0° |
| C6 | C7 | C8 | H9 | 178.3° | 179.8° |
| C7 | C6 | C11 | H19 | 177.6° | 179.7° |
| C6 | C4 | N3 | O5 | 175.3° | 180.0° |
| C6 | C4 | N3 | C2 | 171.3° | 180.0° |
| C6 | C4 | N3 | H4 | 8.6° | 0.0° |
| C4 | C6 | C7 | H5 | 8.6° | 0.1° |
| C4 | C6 | C11 | H19 | 10.8° | 0.2° |
| C25 | C30 | C29 | H35 | 120.9° | 120.0° |
| C25 | C30 | C29 | H36 | 120.9° | 120.0° |
| C25 | C30 | C29 | C28 | 53.4° | 60.0° |
| C30 | C25 | C26 | H12 | 166.9° | 180.0° |
| C30 | C25 | C26 | H13 | 75.2° | 60.0° |
| C30 | C25 | C24 | H27 | 65.0° | 174.6° |
| C30 | C25 | C24 | H28 | 52.7° | 65.4° |
| C25 | C30 | C29 | H33 | 173.6° | 60.0° |
| C25 | C30 | C29 | H34 | 66.9° | 180.0° |
| C25 | C30 | H35 | H36 | 117.3° | 120.0° |
| C30 | C25 | O31 | H37 | 61.5° | 60.0° |
| C29 | C30 | C25 | O31 | 72.8° | 60.0° |
| C30 | C29 | C28 | C27 | 55.8° | 60.0° |
| C30 | C29 | C28 | H33 | 120.2° | 120.0° |
| C30 | C29 | C28 | H34 | 120.3° | 120.0° |
| C30 | C29 | C28 | H31 | 176.0° | 180.0° |
| C30 | C29 | C28 | H32 | 64.4° | 60.0° |
| C30 | C29 | H33 | H34 | 119.2° | 120.0° |
| C29 | C30 | H35 | H36 | 117.2° | 120.0° |
| O31 | C25 | C26 | H12 | 48.8° | 60.0° |
| O31 | C25 | C26 | H13 | 166.7° | 180.0° |
| O31 | C25 | C24 | H27 | 177.7° | 54.6° |
| O31 | C25 | C24 | H28 | 64.6° | 174.7° |
| O31 | C25 | C30 | H35 | 166.3° | 180.0° |
| O31 | C25 | C30 | H36 | 48.1° | 60.0° |
| C4 | N3 | C2 | H4 | 180.0° | 180.0° |
| C4 | N3 | C2 | C1 | 140.3° | 180.0° |
| C4 | N3 | C2 | H17 | 99.4° | 59.9° |
| C4 | N3 | C2 | H18 | 20.0° | 60.0° |
| C2 | N3 | C4 | O5 | 13.4° | 0.0° |
| N3 | C2 | C1 | H17 | 120.3° | 120.0° |
| N3 | C2 | C1 | H18 | 120.3° | 120.0° |
| N3 | C2 | C1 | H14 | 180.0° | 180.0° |
| N3 | C2 | C1 | H15 | 60.0° | 60.0° |
| N3 | C2 | C1 | H16 | 60.0° | 60.0° |
| N3 | C2 | H17 | H18 | 119.1° | 119.9° |
| O5 | C4 | N3 | H4 | 166.7° | 180.0° |
| C27 | C28 | C29 | H31 | 120.2° | 120.0° |
| C27 | C28 | C29 | H32 | 120.2° | 120.0° |
| C28 | C27 | C26 | H12 | 172.2° | 180.0° |
| C28 | C27 | C26 | H13 | 69.9° | 60.0° |
| C28 | C27 | H29 | H30 | 119.2° | 120.0° |
| C27 | C28 | H31 | H32 | 119.4° | 120.0° |
| C27 | C28 | C29 | H33 | 176.1° | 60.0° |
| C27 | C28 | C29 | H34 | 64.5° | 180.0° |
| C29 | C28 | C27 | H29 | 65.9° | 60.0° |
| C29 | C28 | C27 | H30 | 174.7° | 180.0° |
| C29 | C28 | H31 | H32 | 119.3° | 120.0° |
| C28 | C29 | H33 | H34 | 119.2° | 120.1° |
| C28 | C29 | C30 | H35 | 67.5° | 60.0° |
| C28 | C29 | C30 | H36 | 174.3° | 180.0° |
| C1 | C2 | N3 | H4 | 39.6° | 0.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| C1 | C2 | H17 | H18 | 119.1° | 120.0° |
| H1 | C32 | H2 | H3 | 120.0° | 120.0° |
| H4 | N3 | C2 | H17 | 80.6° | 120.1° |
| H4 | N3 | C2 | H18 | 159.9° | 120.0° |
| H5 | C7 | C8 | H9 | 1.7° | 0.1° |
| H6 | C20 | C21 | H8 | 59.9° | 59.2° |
| H7 | C20 | C21 | H8 | 178.4° | 179.2° |
| H8 | C21 | C15 | H20 | 178.2° | 177.7° |
| H8 | C21 | C23 | H24 | 63.5° | 60.0° |
| H8 | C21 | C23 | H25 | 176.4° | 59.9° |
| H8 | C21 | C23 | H26 | 56.5° | 180.0° |
| H10 | C18 | C17 | H21 | 62.3° | 179.2° |
| H10 | C18 | C17 | H22 | 57.0° | 59.2° |
| H11 | C18 | C17 | H21 | 57.1° | 59.1° |
| H11 | C18 | C17 | H22 | 176.3° | 60.9° |
| H12 | C26 | C27 | H29 | 51.9° | 60.0° |
| H12 | C26 | C27 | H30 | 67.5° | 59.9° |
| H13 | C26 | C27 | H29 | 169.9° | 180.0° |
| H13 | C26 | C27 | H30 | 50.4° | 60.1° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H14 | C1 | C2 | H17 | 59.7° | 60.0° |
| H14 | C1 | C2 | H18 | 59.7° | 60.0° |
| H15 | C1 | C2 | H17 | 179.7° | 180.0° |
| H15 | C1 | C2 | H18 | 60.3° | 60.0° |
| H16 | C1 | C2 | H17 | 60.3° | 60.0° |
| H16 | C1 | C2 | H18 | 179.7° | 180.0° |
| H20 | C15 | C17 | H21 | 60.4° | 177.8° |
| H20 | C15 | C17 | H22 | 179.7° | 57.7° |
| H24 | C23 | H25 | H26 | 120.0° | 120.0° |
| H29 | C27 | C28 | H31 | 54.3° | 60.0° |
| H29 | C27 | C28 | H32 | 173.9° | 180.0° |
| H30 | C27 | C28 | H31 | 65.1° | 60.0° |
| H30 | C27 | C28 | H32 | 54.5° | 60.0° |
| H31 | C28 | C29 | H33 | 63.7° | 60.0° |
| H31 | C28 | C29 | H34 | 55.8° | 60.0° |
| H32 | C28 | C29 | H33 | 55.8° | NaN° |
| H32 | C28 | C29 | H34 | 175.3° | 59.9° |
| H33 | C29 | C30 | H35 | 52.8° | NaN° |
| H33 | C29 | C30 | H36 | 65.4° | 60.0° |
| H34 | C29 | C30 | H35 | 172.3° | 60.0° |
| H34 | C29 | C30 | H36 | 54.1° | 60.0° |
