XJ3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | O17 | sing | 1.43Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| O17 | C16 | sing | 1.43Å | 1.47Å | |
| C4 | N05 | sing | 1.47Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.55Å | |
| C19 | C14 | sing | 1.53Å | 1.48Å | |
| N05 | C6 | sing | 1.47Å | 1.48Å | |
| C16 | C15 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.46Å | |
| C14 | N13 | sing | 1.47Å | 1.46Å | |
| C3 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C1 | sing | 1.47Å | 1.47Å | |
| C31 | C9 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.57Å | |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.48Å | 1.54Å | |
| N13 | C12 | sing | 1.39Å | 1.48Å | |
| N11 | C10 | doub | 1.33Å | 1.33Å | Aromatic |
| N11 | C12 | sing | 1.33Å | 1.34Å | Aromatic |
| C10 | N30 | sing | 1.33Å | 1.34Å | Aromatic |
| C12 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| N30 | C22 | doub | 1.33Å | 1.33Å | Aromatic |
| C20 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C29 | C28 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.48Å | 1.57Å | |
| C28 | C23 | sing | 1.42Å | 1.41Å | Aromatic |
| C28 | N27 | doub | 1.30Å | 1.34Å | Aromatic |
| C23 | C24 | doub | 1.37Å | 1.38Å | Aromatic |
| N27 | O26 | sing | 1.21Å | 1.38Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C24 | O26 | sing | 1.34Å | 1.31Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| N2 | H32 | sing | 1.01Å | 1.00Å | |
| N05 | H34 | sing | 1.01Å | 1.00Å | |
| N13 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | C18 | C19 | 111.7° | 109.4° |
| C18 | O17 | C16 | 112.2° | 114.1° |
| O17 | C18 | H16 | 108.9° | 109.5° |
| O17 | C18 | H17 | 108.9° | 109.5° |
| C18 | C19 | C14 | 113.0° | 109.1° |
| C19 | C18 | H16 | 108.9° | 109.5° |
| C19 | C18 | H17 | 108.9° | 109.5° |
| C18 | C19 | H18 | 108.6° | 109.5° |
| C18 | C19 | H19 | 108.6° | 109.5° |
| O17 | C16 | C15 | 112.7° | 109.4° |
| O17 | C16 | H14 | 108.7° | 109.5° |
| O17 | C16 | H15 | 108.7° | 109.5° |
| N05 | C4 | C3 | 108.7° | 109.5° |
| C4 | N05 | C6 | 109.8° | 111.0° |
| N05 | C4 | H6 | 109.7° | 109.5° |
| N05 | C4 | H7 | 109.7° | 109.5° |
| C4 | N05 | H34 | 109.4° | 110.9° |
| C4 | C3 | N2 | 109.1° | 109.5° |
| C4 | C3 | H4 | 109.5° | 109.5° |
| C4 | C3 | H5 | 109.6° | 109.5° |
| C3 | C4 | H6 | 109.7° | 109.4° |
| C3 | C4 | H7 | 109.6° | 109.5° |
| C19 | C14 | C15 | 112.3° | 109.0° |
| C19 | C14 | N13 | 106.4° | 109.5° |
| C19 | C14 | H11 | 110.1° | 109.6° |
| C14 | C19 | H18 | 108.6° | 109.5° |
| C14 | C19 | H19 | 108.6° | 109.6° |
| N05 | C6 | C7 | 106.2° | 109.5° |
| N05 | C6 | H8 | 110.3° | 109.5° |
| N05 | C6 | H9 | 110.3° | 109.5° |
| C6 | N05 | H34 | 109.4° | 111.0° |
| C16 | C15 | C14 | 113.7° | 109.2° |
| C16 | C15 | H12 | 108.4° | 109.6° |
| C16 | C15 | H13 | 108.4° | 109.6° |
| C15 | C16 | H14 | 108.7° | 109.4° |
| C15 | C16 | H15 | 108.7° | 109.5° |
| C33 | C32 | C31 | 119.7° | 120.1° |
| C32 | C33 | C7 | 120.3° | 120.3° |
| C33 | C32 | H30 | 120.2° | 119.9° |
| C32 | C33 | H31 | 119.9° | 119.8° |
| C32 | C31 | C9 | 119.6° | 119.9° |
| C32 | C31 | H29 | 120.2° | 120.0° |
| C31 | C32 | H30 | 120.1° | 119.9° |
| C33 | C7 | C6 | 120.5° | 120.0° |
| C33 | C7 | C8 | 120.3° | 120.1° |
| C7 | C33 | H31 | 119.9° | 119.9° |
| C15 | C14 | N13 | 107.2° | 109.6° |
| C15 | C14 | H11 | 110.4° | 109.6° |
| C14 | C15 | H12 | 108.4° | 109.5° |
| C14 | C15 | H13 | 108.4° | 109.5° |
| C14 | N13 | C12 | 118.7° | 120.0° |
| N13 | C14 | H11 | 110.4° | 109.5° |
| C14 | N13 | H36 | 107.1° | 120.0° |
| C3 | N2 | C1 | 110.4° | 111.0° |
| N2 | C3 | H4 | 109.6° | 109.5° |
| N2 | C3 | H5 | 109.6° | 109.5° |
| C3 | N2 | H32 | 109.2° | 111.0° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C1 | N2 | H32 | 109.2° | 111.0° |
| C31 | C9 | C8 | 121.0° | 119.8° |
| C31 | C9 | C10 | 122.1° | 120.1° |
| C9 | C31 | H29 | 120.2° | 120.1° |
| C6 | C7 | C8 | 119.2° | 119.9° |
| C7 | C6 | H8 | 110.3° | 109.4° |
| C7 | C6 | H9 | 110.3° | 109.5° |
| C7 | C8 | C9 | 119.2° | 119.9° |
| C7 | C8 | H10 | 120.4° | 120.1° |
| C8 | C9 | C10 | 116.8° | 120.1° |
| C9 | C8 | H10 | 120.4° | 120.1° |
| C9 | C10 | N11 | 120.0° | 119.1° |
| C9 | C10 | N30 | 116.7° | 119.1° |
| N13 | C12 | N11 | 119.4° | 120.4° |
| N13 | C12 | C20 | 120.4° | 120.4° |
| C12 | N13 | H36 | 107.1° | 120.0° |
| C10 | N11 | C12 | 119.1° | 120.8° |
| N11 | C10 | N30 | 123.2° | 121.7° |
| N11 | C12 | C20 | 120.2° | 119.2° |
| C10 | N30 | C22 | 120.9° | 120.8° |
| C12 | C20 | C22 | 117.9° | 118.3° |
| C12 | C20 | C21 | 120.1° | 120.9° |
| N30 | C22 | C20 | 118.7° | 119.1° |
| N30 | C22 | C23 | 118.4° | 120.5° |
| C22 | C20 | C21 | 121.9° | 120.8° |
| C20 | C22 | C23 | 123.0° | 120.4° |
| C20 | C21 | H20 | 109.5° | 109.5° |
| C20 | C21 | H21 | 109.4° | 109.5° |
| C20 | C21 | H22 | 109.4° | 109.5° |
| C29 | C28 | C23 | 127.2° | 126.9° |
| C29 | C28 | N27 | 126.4° | 126.8° |
| C28 | C29 | H26 | 109.5° | 109.5° |
| C28 | C29 | H27 | 109.5° | 109.5° |
| C28 | C29 | H28 | 109.5° | 109.5° |
| C22 | C23 | C28 | 123.8° | 128.2° |
| C22 | C23 | C24 | 127.3° | 128.2° |
| C23 | C28 | N27 | 106.4° | 106.3° |
| C28 | C23 | C24 | 108.9° | 103.6° |
| C28 | N27 | O26 | 107.2° | 112.0° |
| C23 | C24 | C25 | 129.2° | 126.9° |
| C23 | C24 | O26 | 105.5° | 106.3° |
| N27 | O26 | C24 | 112.0° | 111.8° |
| C25 | C24 | O26 | 125.3° | 126.8° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| C24 | C25 | H24 | 109.5° | 109.5° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.4° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H12 | C15 | H13 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C18 | H17 | 109.5° | 109.5° |
| H18 | C19 | H19 | 109.4° | 109.6° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H20 | C21 | H22 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H25 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.4° |
| H26 | C29 | H27 | 109.5° | 109.5° |
| H26 | C29 | H28 | 109.4° | 109.5° |
| H27 | C29 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | C18 | C19 | H16 | 120.3° | 120.0° |
| O17 | C18 | C19 | H17 | 120.3° | 120.0° |
| O17 | C18 | C19 | C14 | 53.4° | 57.6° |
| C18 | O17 | C16 | C15 | 52.0° | 61.2° |
| C18 | O17 | C16 | H14 | 68.5° | 178.9° |
| C18 | O17 | C16 | H15 | 172.5° | 58.9° |
| O17 | C18 | H16 | H17 | 119.0° | 120.0° |
| O17 | C18 | C19 | H18 | 67.2° | 177.5° |
| O17 | C18 | C19 | H19 | 173.9° | 62.3° |
| C19 | C18 | O17 | C16 | 53.8° | 61.2° |
| C18 | C19 | C14 | H18 | 120.5° | 119.9° |
| C18 | C19 | C14 | H19 | 120.5° | 119.9° |
| C18 | C19 | C14 | C15 | 50.7° | 57.0° |
| C18 | C19 | C14 | N13 | 167.7° | 176.9° |
| C18 | C19 | C14 | H11 | 72.7° | 62.9° |
| C19 | C18 | H16 | H17 | 119.0° | 120.1° |
| C18 | C19 | H18 | H19 | 118.4° | 120.2° |
| O17 | C16 | C15 | H14 | 120.5° | 119.9° |
| O17 | C16 | C15 | H15 | 120.5° | 120.0° |
| O17 | C16 | C15 | C14 | 49.7° | 57.7° |
| O17 | C16 | C15 | H12 | 170.4° | 62.3° |
| O17 | C16 | C15 | H13 | 70.9° | 177.6° |
| O17 | C16 | H14 | H15 | 118.5° | 120.0° |
| C16 | O17 | C18 | H16 | 174.1° | 58.8° |
| C16 | O17 | C18 | H17 | 66.6° | 178.8° |
| N05 | C4 | C3 | H6 | 119.9° | 120.0° |
| N05 | C4 | C3 | H7 | 119.9° | 120.0° |
| C4 | N05 | C6 | H34 | 120.0° | 123.9° |
| N05 | C4 | C3 | N2 | 170.3° | 180.0° |
| C4 | N05 | C6 | C7 | 179.1° | 179.9° |
| N05 | C4 | C3 | H4 | 50.4° | 60.0° |
| N05 | C4 | C3 | H5 | 69.7° | 60.0° |
| N05 | C4 | H6 | H7 | 120.4° | 120.0° |
| C4 | N05 | C6 | H8 | 61.4° | 60.0° |
| C4 | N05 | C6 | H9 | 59.7° | 60.0° |
| C3 | C4 | N05 | C6 | 81.1° | 180.0° |
| C4 | C3 | N2 | H4 | 119.9° | 120.0° |
| C4 | C3 | N2 | H5 | 120.0° | 120.0° |
| C4 | C3 | N2 | C1 | 152.9° | 180.0° |
| C4 | C3 | H4 | H5 | 120.1° | 120.0° |
| C3 | C4 | H6 | H7 | 120.3° | 120.0° |
| C4 | C3 | N2 | H32 | 87.0° | 56.1° |
| C3 | C4 | N05 | H34 | 158.9° | 56.0° |
| C19 | C14 | C15 | C16 | 48.7° | 57.0° |
| C19 | C14 | C15 | N13 | 116.5° | 119.8° |
| C19 | C14 | C15 | H11 | 123.2° | 120.0° |
| C19 | C14 | N13 | H11 | 119.4° | 120.3° |
| C19 | C14 | N13 | C12 | 154.4° | 85.4° |
| C19 | C14 | C15 | H12 | 169.3° | 62.9° |
| C19 | C14 | C15 | H13 | 71.9° | 177.0° |
| C14 | C19 | C18 | H16 | 173.7° | 62.3° |
| C14 | C19 | C18 | H17 | 67.0° | 177.6° |
| C14 | C19 | H18 | H19 | 118.4° | 120.2° |
| C19 | C14 | N13 | H36 | 84.3° | 94.5° |
| N05 | C6 | C7 | C33 | 90.0° | 90.3° |
| N05 | C6 | C7 | H8 | 119.5° | 120.0° |
| N05 | C6 | C7 | H9 | 119.5° | 120.0° |
| N05 | C6 | C7 | C8 | 88.3° | 90.0° |
| C6 | N05 | C4 | H6 | 159.0° | 60.0° |
| C6 | N05 | C4 | H7 | 38.8° | 60.0° |
| N05 | C6 | H8 | H9 | 121.5° | 120.0° |
| C16 | C15 | C14 | H12 | 120.6° | 120.0° |
| C16 | C15 | C14 | H13 | 120.6° | 120.0° |
| C16 | C15 | C14 | N13 | 165.2° | 176.9° |
| C16 | C15 | C14 | H11 | 74.6° | 62.9° |
| C16 | C15 | H12 | H13 | 118.1° | 120.2° |
| C15 | C16 | H14 | H15 | 118.6° | 120.1° |
| C33 | C32 | C31 | H30 | 180.0° | 179.4° |
| C32 | C33 | C7 | H31 | 180.0° | 179.4° |
| C33 | C32 | C31 | C9 | 0.1° | 0.3° |
| C32 | C33 | C7 | C6 | 179.3° | 179.7° |
| C32 | C33 | C7 | C8 | 1.0° | 0.6° |
| C33 | C32 | C31 | H29 | 179.8° | 179.8° |
| C31 | C32 | C33 | C7 | 0.6° | 0.6° |
| C32 | C31 | C9 | H29 | 180.0° | 179.9° |
| C32 | C31 | C9 | C8 | 0.4° | 0.0° |
| C32 | C31 | C9 | C10 | 178.9° | 180.0° |
| C31 | C32 | C33 | H31 | 179.4° | 180.0° |
| C33 | C7 | C6 | C8 | 178.3° | 179.7° |
| C33 | C7 | C8 | C9 | 0.7° | 0.3° |
| C33 | C7 | C6 | H8 | 150.5° | 29.7° |
| C33 | C7 | C6 | H9 | 29.5° | 149.7° |
| C33 | C7 | C8 | H10 | 179.3° | 179.7° |
| C7 | C33 | C32 | H30 | 179.4° | 180.0° |
| C15 | C14 | N13 | H11 | 120.2° | 120.2° |
| C15 | C14 | N13 | C12 | 85.3° | 155.0° |
| C14 | C15 | H12 | H13 | 118.1° | 120.1° |
| C14 | C15 | C16 | H14 | 70.8° | 177.6° |
| C14 | C15 | C16 | H15 | 170.2° | 62.3° |
| C15 | C14 | C19 | H18 | 69.9° | 176.9° |
| C15 | C14 | C19 | H19 | 171.2° | 62.9° |
| C15 | C14 | N13 | H36 | 36.0° | 25.0° |
| C14 | N13 | C12 | H36 | 121.3° | 180.0° |
| C14 | N13 | C12 | N11 | 6.1° | 0.3° |
| C14 | N13 | C12 | C20 | 175.8° | 180.0° |
| N13 | C14 | C15 | H12 | 74.1° | 56.9° |
| N13 | C14 | C15 | H13 | 44.6° | 63.2° |
| N13 | C14 | C19 | H18 | 47.1° | 63.3° |
| N13 | C14 | C19 | H19 | 71.8° | 57.0° |
| C3 | N2 | C1 | H32 | 120.1° | 123.9° |
| C3 | N2 | C1 | H1 | 180.0° | 180.0° |
| C3 | N2 | C1 | H2 | 60.0° | 60.0° |
| C3 | N2 | C1 | H3 | 60.0° | 60.0° |
| N2 | C3 | H4 | H5 | 120.2° | 120.0° |
| N2 | C3 | C4 | H6 | 69.8° | 60.0° |
| N2 | C3 | C4 | H7 | 50.4° | 60.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.0° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | N2 | C3 | H4 | 32.9° | 60.0° |
| C1 | N2 | C3 | H5 | 87.2° | 60.0° |
| C31 | C9 | C8 | C7 | 0.0° | 0.0° |
| C31 | C9 | C8 | C10 | 178.6° | 180.0° |
| C31 | C9 | C10 | N11 | 36.7° | 179.7° |
| C31 | C9 | C10 | N30 | 142.8° | 0.0° |
| C31 | C9 | C8 | H10 | 180.0° | 180.0° |
| C9 | C31 | C32 | H30 | 179.9° | 179.7° |
| C6 | C7 | C8 | C9 | 179.1° | 180.0° |
| C7 | C6 | H8 | H9 | 121.5° | 120.0° |
| C6 | C7 | C8 | H10 | 1.0° | 0.0° |
| C6 | C7 | C33 | H31 | 0.7° | 0.3° |
| C7 | C6 | N05 | H34 | 59.1° | 56.0° |
| C7 | C8 | C9 | H10 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 178.6° | 180.0° |
| C8 | C7 | C6 | H8 | 31.2° | 150.0° |
| C8 | C7 | C6 | H9 | 152.2° | 30.0° |
| C8 | C7 | C33 | H31 | 179.0° | 180.0° |
| C8 | C9 | C10 | N11 | 144.7° | 0.3° |
| C8 | C9 | C10 | N30 | 35.8° | 180.0° |
| C8 | C9 | C31 | H29 | 179.6° | 179.9° |
| C9 | C10 | N11 | N30 | 179.5° | 179.8° |
| C9 | C10 | N11 | C12 | 178.8° | 180.0° |
| C9 | C10 | N30 | C22 | 179.9° | 180.0° |
| C10 | C9 | C8 | H10 | 1.4° | 0.0° |
| C10 | C9 | C31 | H29 | 1.0° | 0.1° |
| N13 | C12 | N11 | C10 | 179.7° | 179.8° |
| N13 | C12 | N11 | C20 | 178.2° | 179.7° |
| N13 | C12 | C20 | C22 | 179.4° | 180.0° |
| N13 | C12 | C20 | C21 | 0.2° | 0.3° |
| C12 | N13 | C14 | H11 | 35.0° | 34.8° |
| C10 | N11 | C12 | C20 | 1.5° | 0.0° |
| N11 | C10 | N30 | C22 | 0.4° | 0.2° |
| C12 | N11 | C10 | N30 | 0.7° | 0.2° |
| N11 | C12 | C20 | C22 | 1.3° | 0.3° |
| N11 | C12 | C20 | C21 | 178.4° | 180.0° |
| N11 | C12 | N13 | H36 | 127.4° | 179.8° |
| C10 | N30 | C22 | C20 | 0.7° | 0.1° |
| C10 | N30 | C22 | C23 | 179.4° | 179.8° |
| C12 | C20 | C22 | N30 | 0.2° | 0.3° |
| C12 | C20 | C22 | C21 | 179.6° | 179.7° |
| C12 | C20 | C22 | C23 | 179.8° | 180.0° |
| C12 | C20 | C21 | H20 | 89.8° | 84.4° |
| C12 | C20 | C21 | H21 | 150.2° | 155.6° |
| C12 | C20 | C21 | H22 | 30.2° | 35.6° |
| C20 | C12 | N13 | H36 | 54.5° | 0.0° |
| N30 | C22 | C20 | C23 | 179.9° | 179.7° |
| N30 | C22 | C20 | C21 | 179.5° | 180.0° |
| N30 | C22 | C23 | C28 | 62.9° | 121.4° |
| N30 | C22 | C23 | C24 | 115.3° | 58.4° |
| C20 | C22 | C23 | C28 | 117.1° | 58.3° |
| C20 | C22 | C23 | C24 | 64.6° | 121.9° |
| C22 | C20 | C21 | H20 | 89.8° | 95.2° |
| C22 | C20 | C21 | H21 | 30.2° | 24.8° |
| C22 | C20 | C21 | H22 | 150.2° | 144.8° |
| C21 | C20 | C22 | C23 | 0.6° | 0.3° |
| C20 | C21 | H20 | H21 | 120.0° | 120.1° |
| C20 | C21 | H20 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C29 | C28 | C23 | C22 | 1.4° | 0.0° |
| C29 | C28 | C23 | N27 | 178.6° | 180.0° |
| C29 | C28 | C23 | C24 | 179.9° | 179.8° |
| C29 | C28 | N27 | O26 | 179.6° | 179.9° |
| C28 | C29 | H26 | H27 | 120.0° | 120.0° |
| C28 | C29 | H26 | H28 | 120.0° | 120.0° |
| C28 | C29 | H27 | H28 | 120.0° | 120.0° |
| C22 | C23 | C28 | C24 | 178.5° | 179.8° |
| C22 | C23 | C28 | N27 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 2.0° | 0.1° |
| C22 | C23 | C24 | O26 | 179.8° | 180.0° |
| C23 | C28 | N27 | O26 | 1.0° | 0.1° |
| C28 | C23 | C24 | C25 | 179.6° | 179.7° |
| C28 | C23 | C24 | O26 | 1.3° | 0.2° |
| C23 | C28 | C29 | H26 | 178.3° | 95.0° |
| C23 | C28 | C29 | H27 | 58.3° | 145.0° |
| C23 | C28 | C29 | H28 | 61.7° | 25.0° |
| N27 | C28 | C23 | C24 | 1.5° | 0.2° |
| C28 | N27 | O26 | C24 | 0.2° | 0.0° |
| N27 | C28 | C29 | H26 | 0.0° | 85.0° |
| N27 | C28 | C29 | H27 | 120.0° | 35.0° |
| N27 | C28 | C29 | H28 | 120.0° | 155.0° |
| C23 | C24 | O26 | N27 | 0.7° | 0.1° |
| C23 | C24 | C25 | O26 | 177.9° | 179.9° |
| C23 | C24 | C25 | H23 | 177.9° | 89.9° |
| C23 | C24 | C25 | H24 | 62.1° | 150.0° |
| C23 | C24 | C25 | H25 | 57.9° | 30.0° |
| N27 | O26 | C24 | C25 | 179.0° | 179.8° |
| C24 | C25 | H23 | H24 | 120.0° | 120.1° |
| C24 | C25 | H23 | H25 | 120.0° | 120.0° |
| C24 | C25 | H24 | H25 | 120.0° | 120.0° |
| O26 | C24 | C25 | H23 | 0.0° | 90.0° |
| O26 | C24 | C25 | H24 | 120.0° | 30.1° |
| O26 | C24 | C25 | H25 | 120.0° | 150.1° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | N2 | H32 | 59.8° | 56.1° |
| H2 | C1 | N2 | H32 | 179.8° | 176.1° |
| H3 | C1 | N2 | H32 | 60.2° | 63.9° |
| H4 | C3 | C4 | H6 | 170.2° | 60.0° |
| H4 | C3 | C4 | H7 | 69.5° | 180.0° |
| H4 | C3 | N2 | H32 | 153.1° | 176.1° |
| H5 | C3 | C4 | H6 | 50.2° | 180.0° |
| H5 | C3 | C4 | H7 | 170.4° | 60.0° |
| H5 | C3 | N2 | H32 | 33.0° | 63.9° |
| H6 | C4 | N05 | H34 | 39.0° | 176.0° |
| H7 | C4 | N05 | H34 | 81.3° | 64.0° |
| H8 | C6 | N05 | H34 | 178.6° | 63.9° |
| H9 | C6 | N05 | H34 | 60.4° | 176.1° |
| H11 | C14 | C15 | H12 | 46.1° | 177.1° |
| H11 | C14 | C15 | H13 | 164.8° | 57.0° |
| H11 | C14 | C19 | H18 | 166.7° | 56.9° |
| H11 | C14 | C19 | H19 | 47.8° | 177.2° |
| H11 | C14 | N13 | H36 | 156.3° | 145.2° |
| H12 | C15 | C16 | H14 | 49.9° | 57.6° |
| H12 | C15 | C16 | H15 | 69.2° | 177.7° |
| H13 | C15 | C16 | H14 | 168.6° | 62.5° |
| H13 | C15 | C16 | H15 | 49.6° | 57.6° |
| H16 | C18 | C19 | H18 | 53.2° | 57.5° |
| H16 | C18 | C19 | H19 | 65.7° | 177.7° |
| H17 | C18 | C19 | H18 | 172.5° | 62.5° |
| H17 | C18 | C19 | H19 | 53.6° | 57.7° |
| H20 | C21 | H21 | H22 | 120.0° | 120.0° |
| H23 | C25 | H24 | H25 | 120.0° | 119.9° |
| H26 | C29 | H27 | H28 | 119.9° | 120.0° |
| H29 | C31 | C32 | H30 | 0.1° | 0.4° |
| H30 | C32 | C33 | H31 | 0.6° | 0.6° |
