A1JTR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.34Å | 1.33Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C2 | C3 | sing | 1.55Å | 1.54Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| N1 | C4 | sing | 1.47Å | 1.46Å | |
| C2 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | N2 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.51Å | 1.53Å | |
| C8 | O1 | doub | 1.21Å | 1.23Å | |
| C8 | N3 | sing | 1.37Å | 1.34Å | |
| C7 | O2 | sing | 1.43Å | 1.42Å | |
| N2 | C9 | sing | 1.37Å | 1.35Å | |
| C9 | C10 | sing | 1.51Å | 1.54Å | |
| C10 | N4 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| C9 | O3 | doub | 1.21Å | 1.24Å | |
| C1 | O4 | doub | 1.21Å | 1.25Å | |
| N4 | C13 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | sing | 1.51Å | 1.52Å | |
| C14 | C15 | sing | 1.51Å | 1.51Å | |
| C13 | O5 | doub | 1.21Å | 1.24Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.37Å | 1.39Å | Aromatic |
| C12 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.51Å | 1.51Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| N3 | C30 | sing | 1.48Å | 1.46Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H12 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C21 | H25 | sing | 1.08Å | 1.08Å | |
| C22 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C26 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| N2 | H10 | sing | 0.97Å | 1.00Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| N4 | H15 | sing | 0.97Å | 1.00Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C27 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 107.9° | 110.1° |
| C1 | N1 | C4 | 113.7° | 111.3° |
| N1 | C1 | O4 | 126.5° | 124.9° |
| C1 | N1 | H1 | 123.2° | 124.3° |
| C1 | C2 | C3 | 105.1° | 104.2° |
| C1 | C2 | C5 | 113.2° | 110.5° |
| C2 | C1 | O4 | 125.5° | 124.9° |
| C1 | C2 | H2 | 107.5° | 110.5° |
| C2 | C3 | C4 | 104.6° | 101.7° |
| C3 | C2 | C5 | 116.0° | 110.5° |
| C3 | C2 | H2 | 107.3° | 110.4° |
| C2 | C3 | H3 | 110.7° | 111.0° |
| C2 | C3 | H4 | 110.7° | 111.0° |
| C3 | C4 | N1 | 103.3° | 105.5° |
| C3 | C4 | H5 | 111.0° | 110.3° |
| C3 | C4 | H6 | 111.0° | 110.3° |
| C4 | C3 | H3 | 110.7° | 111.0° |
| C4 | C3 | H4 | 110.6° | 111.0° |
| C4 | N1 | H1 | 123.1° | 124.4° |
| N1 | C4 | H5 | 111.0° | 110.2° |
| N1 | C4 | H6 | 111.0° | 110.2° |
| C2 | C5 | C6 | 113.7° | 109.5° |
| C2 | C5 | H7 | 108.4° | 109.5° |
| C2 | C5 | H8 | 108.4° | 109.5° |
| C5 | C2 | H2 | 107.4° | 110.5° |
| C5 | C6 | N2 | 111.4° | 109.6° |
| C5 | C6 | C7 | 113.0° | 109.7° |
| C6 | C5 | H7 | 108.4° | 109.5° |
| C6 | C5 | H8 | 108.4° | 109.5° |
| C5 | C6 | H9 | 106.7° | 109.7° |
| N2 | C6 | C7 | 111.4° | 108.5° |
| C6 | N2 | C9 | 123.1° | 114.5° |
| N2 | C6 | H9 | 107.4° | 109.7° |
| C6 | N2 | H10 | 118.5° | 122.8° |
| C6 | C7 | C8 | 115.2° | 109.5° |
| C6 | C7 | O2 | 108.1° | 109.4° |
| C7 | C6 | H9 | 106.5° | 109.6° |
| C6 | C7 | H11 | 107.8° | 109.5° |
| C7 | C8 | O1 | 118.9° | 120.7° |
| C7 | C8 | N3 | 116.6° | 118.5° |
| C8 | C7 | O2 | 108.2° | 109.5° |
| C8 | C7 | H11 | 108.0° | 109.5° |
| O1 | C8 | N3 | 124.5° | 120.8° |
| C8 | N3 | C30 | 124.6° | 114.4° |
| C8 | N3 | H12 | 117.7° | 122.8° |
| O2 | C7 | H11 | 109.4° | 109.4° |
| C7 | O2 | H13 | 109.5° | 113.9° |
| N2 | C9 | C10 | 119.4° | 118.6° |
| N2 | C9 | O3 | 121.8° | 120.7° |
| C9 | N2 | H10 | 118.5° | 122.8° |
| C9 | C10 | N4 | 113.9° | 109.5° |
| C9 | C10 | C11 | 110.4° | 109.4° |
| C10 | C9 | O3 | 118.8° | 120.7° |
| C9 | C10 | H14 | 107.5° | 109.4° |
| N4 | C10 | C11 | 108.9° | 109.5° |
| C10 | N4 | C13 | 125.6° | 120.0° |
| N4 | C10 | H14 | 108.5° | 109.5° |
| C10 | N4 | H15 | 117.2° | 120.0° |
| C10 | C11 | C12 | 116.2° | 109.5° |
| C11 | C10 | H14 | 107.4° | 109.5° |
| C10 | C11 | H16 | 107.8° | 109.5° |
| C10 | C11 | H17 | 107.7° | 109.4° |
| C11 | C12 | C21 | 121.3° | 120.0° |
| C11 | C12 | C25 | 120.7° | 120.1° |
| C12 | C11 | H16 | 107.8° | 109.5° |
| C12 | C11 | H17 | 107.8° | 109.5° |
| N4 | C13 | C14 | 116.0° | 120.0° |
| N4 | C13 | O5 | 122.5° | 120.0° |
| C13 | N4 | H15 | 117.2° | 120.0° |
| C13 | C14 | C15 | 114.2° | 109.5° |
| C14 | C13 | O5 | 121.5° | 120.0° |
| C13 | C14 | H18 | 108.3° | 109.5° |
| C13 | C14 | H19 | 108.3° | 109.5° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C14 | C15 | C20 | 121.2° | 120.0° |
| C15 | C14 | H18 | 108.3° | 109.5° |
| C15 | C14 | H19 | 108.3° | 109.5° |
| C15 | C16 | C17 | 120.9° | 120.0° |
| C16 | C15 | C20 | 118.0° | 120.0° |
| C15 | C16 | H20 | 119.6° | 120.0° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | H21 | 119.9° | 119.9° |
| C17 | C16 | H20 | 119.6° | 120.0° |
| C17 | C18 | C19 | 119.9° | 120.0° |
| C18 | C17 | H21 | 119.9° | 120.1° |
| C17 | C18 | H22 | 120.1° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C19 | C18 | H22 | 120.1° | 120.0° |
| C18 | C19 | H23 | 119.9° | 120.0° |
| C19 | C20 | C15 | 120.9° | 120.0° |
| C19 | C20 | H24 | 119.5° | 120.0° |
| C20 | C19 | H23 | 119.9° | 120.0° |
| C15 | C20 | H24 | 119.6° | 120.0° |
| C12 | C21 | C22 | 120.6° | 120.0° |
| C21 | C12 | C25 | 118.0° | 120.0° |
| C12 | C21 | H25 | 119.7° | 120.0° |
| C21 | C22 | C23 | 120.2° | 120.0° |
| C22 | C21 | H25 | 119.7° | 120.0° |
| C21 | C22 | H26 | 119.9° | 120.0° |
| C22 | C23 | C24 | 120.7° | 119.4° |
| C23 | C22 | H26 | 119.9° | 120.0° |
| C22 | C23 | H27 | 119.7° | 119.9° |
| C23 | C24 | C25 | 118.1° | 120.6° |
| C23 | C24 | C26 | 121.6° | 119.2° |
| C24 | C23 | H27 | 119.6° | 120.6° |
| C24 | C25 | C12 | 122.3° | 120.0° |
| C25 | C24 | C26 | 120.3° | 120.2° |
| C24 | C25 | H28 | 118.8° | 120.0° |
| C12 | C25 | H28 | 118.9° | 120.0° |
| C24 | C26 | C27 | 114.1° | 109.6° |
| C24 | C26 | H29 | 108.3° | 109.4° |
| C24 | C26 | H30 | 108.3° | 109.5° |
| C26 | C27 | C28 | 116.8° | 109.5° |
| C27 | C26 | H29 | 108.3° | 109.5° |
| C27 | C26 | H30 | 108.3° | 109.5° |
| C26 | C27 | H31 | 107.6° | 109.5° |
| C26 | C27 | H34 | 107.6° | 109.4° |
| C27 | C28 | C29 | 117.5° | 109.5° |
| C27 | C28 | H33 | 107.4° | 109.4° |
| C28 | C27 | H31 | 107.6° | 109.5° |
| C27 | C28 | H32 | 107.4° | 109.4° |
| C28 | C27 | H34 | 107.6° | 109.5° |
| C28 | C29 | C30 | 116.8° | 109.4° |
| C29 | C28 | H33 | 107.4° | 109.5° |
| C28 | C29 | H35 | 107.6° | 109.4° |
| C28 | C29 | H36 | 107.6° | 109.4° |
| C29 | C28 | H32 | 107.4° | 109.5° |
| C29 | C30 | N3 | 115.0° | 108.5° |
| C30 | C29 | H35 | 107.6° | 109.5° |
| C30 | C29 | H36 | 107.6° | 109.5° |
| C29 | C30 | H37 | 108.1° | 109.6° |
| C29 | C30 | H38 | 108.1° | 109.7° |
| C30 | N3 | H12 | 117.7° | 122.8° |
| N3 | C30 | H37 | 108.1° | 109.6° |
| N3 | C30 | H38 | 108.1° | 109.6° |
| H5 | C4 | H6 | 109.5° | 110.2° |
| H7 | C5 | H8 | 109.5° | 109.4° |
| H29 | C26 | H30 | 109.4° | 109.4° |
| H33 | C28 | H32 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 110.9° |
| H16 | C11 | H17 | 109.5° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H31 | C27 | H34 | 109.5° | 109.4° |
| H35 | C29 | H36 | 109.5° | 109.5° |
| H37 | C30 | H38 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | O4 | 177.2° | 180.0° |
| N1 | C1 | C2 | C3 | 6.2° | 16.3° |
| C1 | N1 | C4 | C3 | 24.7° | 17.0° |
| C1 | N1 | C4 | H1 | 180.0° | 179.7° |
| N1 | C1 | C2 | C5 | 121.3° | 135.0° |
| C1 | N1 | C4 | H5 | 143.7° | 102.0° |
| C1 | N1 | C4 | H6 | 94.3° | 136.1° |
| N1 | C1 | C2 | H2 | 120.3° | 102.4° |
| C1 | C2 | C3 | C5 | 125.8° | 118.7° |
| C1 | C2 | C3 | H2 | 114.2° | 118.7° |
| C1 | C2 | C3 | C4 | 8.2° | 24.8° |
| C2 | C1 | N1 | C4 | 19.8° | 0.4° |
| C1 | C2 | C5 | H2 | 118.4° | 122.6° |
| C1 | C2 | C5 | C6 | 152.0° | 66.4° |
| C2 | C1 | N1 | H1 | 160.2° | 179.3° |
| C1 | C2 | C5 | H7 | 87.4° | 53.6° |
| C1 | C2 | C5 | H8 | 31.3° | 173.5° |
| C1 | C2 | C3 | H3 | 111.0° | 142.9° |
| C1 | C2 | C3 | H4 | 127.4° | 93.3° |
| C2 | C3 | C4 | H3 | 119.2° | 118.2° |
| C2 | C3 | C4 | H4 | 119.2° | 118.1° |
| C2 | C3 | C4 | N1 | 18.4° | 25.4° |
| C3 | C2 | C5 | H2 | 120.0° | 122.5° |
| C3 | C2 | C5 | C6 | 86.5° | 178.7° |
| C3 | C2 | C1 | O4 | 171.0° | 163.7° |
| C2 | C3 | C4 | H5 | 137.4° | 93.6° |
| C2 | C3 | C4 | H6 | 100.6° | 144.4° |
| C3 | C2 | C5 | H7 | 34.2° | 61.3° |
| C3 | C2 | C5 | H8 | 152.9° | 58.7° |
| C2 | C3 | H3 | H4 | 122.2° | 123.9° |
| C3 | C4 | N1 | H5 | 119.0° | 119.0° |
| C3 | C4 | N1 | H6 | 119.0° | 119.1° |
| C4 | C3 | C2 | C5 | 134.0° | 143.5° |
| C3 | C4 | N1 | H1 | 155.3° | 162.7° |
| C3 | C4 | H5 | H6 | 122.9° | 122.0° |
| C4 | C3 | C2 | H2 | 106.0° | 93.9° |
| C4 | C3 | H3 | H4 | 122.2° | 123.8° |
| C4 | N1 | C1 | O4 | 157.3° | 179.6° |
| N1 | C4 | H5 | H6 | 122.9° | 121.9° |
| N1 | C4 | C3 | H3 | 100.9° | 143.6° |
| N1 | C4 | C3 | H4 | 137.6° | 92.7° |
| C2 | C5 | C6 | H7 | 120.7° | 120.0° |
| C2 | C5 | C6 | H8 | 120.6° | 120.0° |
| C2 | C5 | C6 | N2 | 70.4° | 65.0° |
| C2 | C5 | C6 | C7 | 163.3° | 176.0° |
| C5 | C2 | C1 | O4 | 61.5° | 45.0° |
| C2 | C5 | H7 | H8 | 118.1° | 120.0° |
| C2 | C5 | C6 | H9 | 46.6° | 55.6° |
| C5 | C2 | C3 | H3 | 14.7° | 98.4° |
| C5 | C2 | C3 | H4 | 106.8° | 25.4° |
| C5 | C6 | N2 | C7 | 127.2° | 119.7° |
| C5 | C6 | N2 | H9 | 116.5° | 120.5° |
| C5 | C6 | C7 | H9 | 116.8° | 120.5° |
| C5 | C6 | C7 | C8 | 58.2° | 135.4° |
| C5 | C6 | C7 | O2 | 179.4° | 15.4° |
| C5 | C6 | N2 | C9 | 127.7° | 136.7° |
| C6 | C5 | H7 | H8 | 118.1° | 120.0° |
| C5 | C6 | C7 | H11 | 62.4° | 104.6° |
| C6 | C5 | C2 | H2 | 33.5° | 56.2° |
| C5 | C6 | N2 | H10 | 52.3° | 43.3° |
| N2 | C6 | C7 | H9 | 116.9° | 119.8° |
| N2 | C6 | C7 | C8 | 68.1° | 104.9° |
| N2 | C6 | C7 | O2 | 53.0° | 135.1° |
| C6 | N2 | C9 | H10 | 180.0° | 180.0° |
| C6 | N2 | C9 | C10 | 174.0° | 179.7° |
| C6 | N2 | C9 | O3 | 4.6° | 0.2° |
| N2 | C6 | C5 | H7 | 50.3° | 175.0° |
| N2 | C6 | C5 | H8 | 169.0° | 55.0° |
| N2 | C6 | C7 | H11 | 171.2° | 15.2° |
| C6 | C7 | C8 | O2 | 121.1° | 120.0° |
| C6 | C7 | C8 | H11 | 120.5° | 120.0° |
| C6 | C7 | C8 | O1 | 70.9° | 47.2° |
| C6 | C7 | C8 | N3 | 111.5° | 132.7° |
| C6 | C7 | O2 | H11 | 117.1° | 120.0° |
| C7 | C6 | N2 | C9 | 105.1° | 103.6° |
| C7 | C6 | C5 | H7 | 76.0° | 56.0° |
| C7 | C6 | C5 | H8 | 42.7° | 64.0° |
| C7 | C6 | N2 | H10 | 74.9° | 76.4° |
| C6 | C7 | O2 | H13 | 180.0° | 180.0° |
| C7 | C8 | O1 | N3 | 177.4° | 180.0° |
| C8 | C7 | O2 | H11 | 117.4° | 120.0° |
| C7 | C8 | N3 | C30 | 173.3° | 179.7° |
| C7 | C8 | N3 | H12 | 6.8° | 0.0° |
| C8 | C7 | C6 | H9 | 175.0° | 14.9° |
| C8 | C7 | O2 | H13 | 54.5° | 60.0° |
| O1 | C8 | C7 | O2 | 168.0° | 72.8° |
| O1 | C8 | N3 | C30 | 4.2° | 0.3° |
| O1 | C8 | N3 | H12 | 175.8° | 179.9° |
| O1 | C8 | C7 | H11 | 49.6° | 167.3° |
| N3 | C8 | C7 | O2 | 9.7° | 107.3° |
| C8 | N3 | C30 | C29 | 101.5° | 137.8° |
| C8 | N3 | C30 | H12 | 180.0° | 179.6° |
| N3 | C8 | C7 | H11 | 128.0° | 12.7° |
| C8 | N3 | C30 | H37 | 137.7° | 102.6° |
| C8 | N3 | C30 | H38 | 19.3° | 18.0° |
| O2 | C7 | C6 | H9 | 63.8° | 105.1° |
| N2 | C9 | C10 | O3 | 178.6° | 179.9° |
| N2 | C9 | C10 | N4 | 110.3° | 34.3° |
| N2 | C9 | C10 | C11 | 126.8° | 154.3° |
| C9 | N2 | C6 | H9 | 11.2° | 16.1° |
| N2 | C9 | C10 | H14 | 10.0° | 85.7° |
| C9 | C10 | N4 | C11 | 123.7° | 120.0° |
| C9 | C10 | N4 | H14 | 119.7° | 120.0° |
| C9 | C10 | C11 | H14 | 116.9° | 120.0° |
| C9 | C10 | C11 | C12 | 74.4° | 103.8° |
| C9 | C10 | N4 | C13 | 85.5° | 85.0° |
| C10 | C9 | N2 | H10 | 6.0° | 0.3° |
| C9 | C10 | N4 | H15 | 94.5° | 95.0° |
| C9 | C10 | C11 | H16 | 46.5° | 16.2° |
| C9 | C10 | C11 | H17 | 164.6° | 136.2° |
| N4 | C10 | C11 | H14 | 117.3° | 120.0° |
| N4 | C10 | C11 | C12 | 159.8° | 136.2° |
| N4 | C10 | C9 | O3 | 71.0° | 145.6° |
| C10 | N4 | C13 | H15 | 180.0° | 180.0° |
| C10 | N4 | C13 | C14 | 176.4° | 180.0° |
| C10 | N4 | C13 | O5 | 3.0° | 0.0° |
| N4 | C10 | C11 | H16 | 79.2° | 103.8° |
| N4 | C10 | C11 | H17 | 38.9° | 16.2° |
| C10 | C11 | C12 | H16 | 121.0° | 120.0° |
| C10 | C11 | C12 | H17 | 121.0° | 120.0° |
| C11 | C10 | C9 | O3 | 51.8° | 25.6° |
| C11 | C10 | N4 | C13 | 150.8° | 155.0° |
| C10 | C11 | C12 | C21 | 121.5° | 118.3° |
| C10 | C11 | C12 | C25 | 59.0° | 61.7° |
| C11 | C10 | N4 | H15 | 29.1° | 25.0° |
| C10 | C11 | H16 | H17 | 116.9° | 119.9° |
| C11 | C12 | C21 | C25 | 179.5° | 180.0° |
| C11 | C12 | C21 | C22 | 180.0° | 180.0° |
| C11 | C12 | C25 | C24 | 179.8° | 178.9° |
| C12 | C11 | C10 | H14 | 42.5° | 16.2° |
| C11 | C12 | C21 | H25 | 0.0° | 0.0° |
| C12 | C11 | H16 | H17 | 116.9° | 120.0° |
| C11 | C12 | C25 | H28 | 0.2° | 1.2° |
| O3 | C9 | C10 | H14 | 168.7° | 94.3° |
| O3 | C9 | N2 | H10 | 175.4° | 179.8° |
| O4 | C1 | N1 | H1 | 22.7° | 0.7° |
| O4 | C1 | C2 | H2 | 56.9° | 77.6° |
| N4 | C13 | C14 | O5 | 179.4° | 180.0° |
| N4 | C13 | C14 | C15 | 81.2° | 180.0° |
| C13 | N4 | C10 | H14 | 34.2° | 35.0° |
| N4 | C13 | C14 | H18 | 158.1° | 60.0° |
| N4 | C13 | C14 | H19 | 39.5° | 60.0° |
| C13 | C14 | C15 | H18 | 120.7° | 120.0° |
| C13 | C14 | C15 | H19 | 120.7° | 120.1° |
| C13 | C14 | C15 | C16 | 129.6° | 90.0° |
| C13 | C14 | C15 | C20 | 51.0° | 90.3° |
| C14 | C13 | N4 | H15 | 3.6° | 0.0° |
| C13 | C14 | H18 | H19 | 117.9° | 120.0° |
| C15 | C14 | C13 | O5 | 98.2° | 0.0° |
| C14 | C15 | C16 | C20 | 179.4° | 179.7° |
| C14 | C15 | C16 | C17 | 179.6° | 179.7° |
| C14 | C15 | C20 | C19 | 179.5° | 179.7° |
| C14 | C15 | C20 | H24 | 0.5° | 0.3° |
| C15 | C14 | H18 | H19 | 117.8° | 120.0° |
| C14 | C15 | C16 | H20 | 0.4° | 0.4° |
| O5 | C13 | N4 | H15 | 177.0° | 180.0° |
| O5 | C13 | C14 | H18 | 22.5° | 120.0° |
| O5 | C13 | C14 | H19 | 141.1° | 120.0° |
| C15 | C16 | C17 | H20 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C16 | C15 | C20 | C19 | 0.2° | 0.0° |
| C15 | C16 | C17 | H21 | 179.7° | 180.0° |
| C16 | C15 | C20 | H24 | 179.8° | 179.9° |
| C16 | C15 | C14 | H18 | 8.9° | 29.9° |
| C16 | C15 | C14 | H19 | 109.7° | 149.9° |
| C16 | C17 | C18 | H21 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C17 | C16 | C15 | C20 | 0.2° | 0.1° |
| C16 | C17 | C18 | H22 | 179.9° | 179.9° |
| C17 | C18 | C19 | H22 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C17 | C16 | H20 | 179.8° | 180.0° |
| C17 | C18 | C19 | H23 | 179.9° | 180.0° |
| C18 | C19 | C20 | H23 | 180.0° | 179.9° |
| C18 | C19 | C20 | C15 | 0.1° | 0.0° |
| C19 | C18 | C17 | H21 | 179.8° | 180.0° |
| C18 | C19 | C20 | H24 | 179.9° | 179.9° |
| C19 | C20 | C15 | H24 | 180.0° | 180.0° |
| C20 | C19 | C18 | H22 | 179.9° | 180.0° |
| C20 | C15 | C14 | H18 | 171.8° | 149.7° |
| C20 | C15 | C14 | H19 | 69.6° | 29.7° |
| C20 | C15 | C16 | H20 | 179.8° | 180.0° |
| C15 | C20 | C19 | H23 | 179.9° | 179.9° |
| C12 | C21 | C22 | H25 | 180.0° | 180.0° |
| C12 | C21 | C22 | C23 | 0.3° | 0.0° |
| C21 | C12 | C25 | C24 | 0.7° | 1.1° |
| C12 | C21 | C22 | H26 | 179.7° | 180.0° |
| C21 | C12 | C11 | H16 | 0.5° | 121.7° |
| C21 | C12 | C11 | H17 | 117.6° | 1.7° |
| C21 | C12 | C25 | H28 | 179.3° | 178.9° |
| C21 | C22 | C23 | H26 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.9° | 1.1° |
| C22 | C21 | C12 | C25 | 0.5° | NaN° |
| C21 | C22 | C23 | H27 | 179.1° | 180.0° |
| C22 | C23 | C24 | H27 | 180.0° | 178.9° |
| C22 | C23 | C24 | C25 | 0.7° | 2.2° |
| C22 | C23 | C24 | C26 | 179.5° | 179.9° |
| C23 | C22 | C21 | H25 | 179.7° | 180.0° |
| C23 | C24 | C25 | C26 | 178.8° | 177.7° |
| C23 | C24 | C25 | C12 | 0.1° | 2.2° |
| C23 | C24 | C26 | C27 | 82.3° | 127.8° |
| C24 | C23 | C22 | H26 | 179.1° | 179.0° |
| C23 | C24 | C26 | H29 | 38.4° | 112.1° |
| C23 | C24 | C26 | H30 | 157.0° | 7.7° |
| C23 | C24 | C25 | H28 | 179.9° | 177.8° |
| C24 | C25 | C12 | H28 | 180.0° | 180.0° |
| C25 | C24 | C26 | C27 | 96.4° | 49.9° |
| C25 | C24 | C26 | H29 | 142.9° | 70.2° |
| C25 | C24 | C26 | H30 | 24.3° | 170.0° |
| C25 | C24 | C23 | H27 | 179.3° | 178.9° |
| C12 | C25 | C24 | C26 | 178.6° | 179.9° |
| C25 | C12 | C21 | H25 | 179.5° | 180.0° |
| C25 | C12 | C11 | H16 | 180.0° | 58.3° |
| C25 | C12 | C11 | H17 | 61.9° | 178.3° |
| C24 | C26 | C27 | H29 | 120.7° | 120.0° |
| C24 | C26 | C27 | H30 | 120.7° | 120.1° |
| C24 | C26 | C27 | C28 | 69.1° | 113.6° |
| C24 | C26 | H29 | H30 | 117.9° | 119.9° |
| C26 | C24 | C23 | H27 | 0.5° | 1.1° |
| C26 | C24 | C25 | H28 | 1.3° | 0.1° |
| C24 | C26 | C27 | H31 | 52.0° | 126.4° |
| C24 | C26 | C27 | H34 | 169.9° | 6.4° |
| C26 | C27 | C28 | H31 | 121.1° | 120.0° |
| C26 | C27 | C28 | H34 | 121.1° | 120.0° |
| C26 | C27 | C28 | C29 | 160.8° | 161.2° |
| C27 | C26 | H29 | H30 | 117.9° | 120.0° |
| C26 | C27 | C28 | H33 | 78.1° | 78.8° |
| C26 | C27 | H31 | H34 | 116.7° | 120.0° |
| C26 | C27 | C28 | H32 | 39.6° | 41.1° |
| C27 | C28 | C29 | H33 | 121.1° | 120.0° |
| C27 | C28 | C29 | H32 | 121.1° | 120.0° |
| C27 | C28 | C29 | C30 | 62.8° | 144.3° |
| C28 | C27 | C26 | H29 | 170.2° | 6.4° |
| C28 | C27 | C26 | H30 | 51.6° | 126.3° |
| C27 | C28 | H33 | H32 | 116.4° | 119.9° |
| C28 | C27 | H31 | H34 | 116.6° | 120.0° |
| C27 | C28 | C29 | H35 | 58.3° | 95.7° |
| C27 | C28 | C29 | H36 | 176.2° | 24.3° |
| C28 | C29 | C30 | H35 | 121.1° | 120.0° |
| C28 | C29 | C30 | H36 | 121.1° | 120.0° |
| C28 | C29 | C30 | N3 | 56.0° | 89.3° |
| C29 | C28 | H33 | H32 | 116.4° | 120.1° |
| C29 | C28 | C27 | H31 | 39.7° | 41.2° |
| C28 | C29 | H35 | H36 | 116.7° | 120.0° |
| C28 | C29 | C30 | H37 | 64.8° | 151.1° |
| C28 | C29 | C30 | H38 | 176.8° | 30.5° |
| C29 | C28 | C27 | H34 | 78.2° | 78.8° |
| C29 | C30 | N3 | H37 | 120.8° | 119.7° |
| C29 | C30 | N3 | H38 | 120.8° | 119.8° |
| C29 | C30 | N3 | H12 | 78.5° | 41.8° |
| C30 | C29 | C28 | H33 | 176.1° | 24.4° |
| C30 | C29 | H35 | H36 | 116.7° | 120.1° |
| C29 | C30 | H37 | H38 | 117.5° | 120.6° |
| C30 | C29 | C28 | H32 | 58.3° | 95.7° |
| N3 | C30 | C29 | H35 | 177.1° | 150.8° |
| N3 | C30 | C29 | H36 | 65.0° | 30.7° |
| N3 | C30 | H37 | H38 | 117.5° | 120.5° |
| H1 | N1 | C4 | H5 | 36.3° | 78.3° |
| H1 | N1 | C4 | H6 | 85.7° | 43.6° |
| H12 | N3 | C30 | H37 | 42.3° | 77.8° |
| H12 | N3 | C30 | H38 | 160.7° | 161.6° |
| H5 | C4 | C3 | H3 | 18.2° | 24.6° |
| H5 | C4 | C3 | H4 | 103.4° | 148.3° |
| H6 | C4 | C3 | H3 | 140.1° | 97.4° |
| H6 | C4 | C3 | H4 | 18.6° | 26.3° |
| H7 | C5 | C6 | H9 | 167.2° | 64.5° |
| H7 | C5 | C2 | H2 | 154.2° | 176.2° |
| H8 | C5 | C6 | H9 | 74.0° | 175.6° |
| H8 | C5 | C2 | H2 | 87.1° | 63.9° |
| H9 | C6 | C7 | H11 | 54.4° | 135.0° |
| H9 | C6 | N2 | H10 | 168.8° | 163.9° |
| H11 | C7 | O2 | H13 | 62.9° | 60.0° |
| H14 | C10 | N4 | H15 | 145.8° | 145.0° |
| H14 | C10 | C11 | H16 | 163.5° | 136.2° |
| H14 | C10 | C11 | H17 | 78.5° | 103.8° |
| H21 | C17 | C16 | H20 | 0.2° | 0.1° |
| H21 | C17 | C18 | H22 | 0.2° | 0.0° |
| H24 | C20 | C19 | H23 | 0.1° | 0.0° |
| H25 | C21 | C22 | H26 | 0.3° | 0.0° |
| H26 | C22 | C23 | H27 | 0.9° | 0.0° |
| H29 | C26 | C27 | H31 | 68.7° | 113.6° |
| H29 | C26 | C27 | H34 | 49.2° | 126.4° |
| H30 | C26 | C27 | H31 | 172.7° | 6.3° |
| H30 | C26 | C27 | H34 | 69.4° | 113.6° |
| H33 | C28 | C27 | H31 | 160.8° | 161.1° |
| H33 | C28 | C29 | H35 | 62.9° | 144.4° |
| H33 | C28 | C29 | H36 | 55.0° | 95.6° |
| H33 | C28 | C27 | H34 | 42.9° | 41.2° |
| H2 | C2 | C3 | H3 | 134.7° | 24.2° |
| H2 | C2 | C3 | H4 | 13.2° | 148.0° |
| H22 | C18 | C19 | H23 | 0.1° | 0.1° |
| H31 | C27 | C28 | H32 | 81.5° | 78.9° |
| H35 | C29 | C30 | H37 | 56.3° | 31.1° |
| H35 | C29 | C30 | H38 | 62.1° | 89.5° |
| H35 | C29 | C28 | H32 | 179.4° | 24.3° |
| H36 | C29 | C30 | H37 | 174.1° | 89.0° |
| H36 | C29 | C30 | H38 | 55.8° | 150.4° |
| H36 | C29 | C28 | H32 | 62.7° | 144.3° |
| H32 | C28 | C27 | H34 | 160.7° | 161.1° |
