LRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N8 | C25 | sing | 1.38Å | 1.34Å | |
| N9 | C25 | doub | 1.33Å | 1.35Å | Aromatic |
| N9 | C26 | sing | 1.32Å | 1.34Å | Aromatic |
| C25 | C24 | sing | 1.41Å | 1.41Å | Aromatic |
| C26 | N10 | doub | 1.32Å | 1.33Å | Aromatic |
| C24 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
| C24 | C27 | doub | 1.41Å | 1.39Å | Aromatic |
| N7 | C23 | doub | 1.30Å | 1.31Å | Aromatic |
| N10 | C27 | sing | 1.33Å | 1.34Å | Aromatic |
| C27 | N6 | sing | 1.37Å | 1.38Å | Aromatic |
| C23 | N6 | sing | 1.36Å | 1.37Å | Aromatic |
| N6 | C22 | sing | 1.47Å | 1.45Å | |
| C14 | N2 | sing | 1.47Å | 1.46Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| O7 | C22 | sing | 1.44Å | 1.41Å | |
| O7 | C19 | sing | 1.44Å | 1.44Å | |
| N2 | C13 | sing | 1.35Å | 1.35Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| N5 | C17 | doub | 1.30Å | 1.28Å | |
| C22 | C21 | sing | 1.54Å | 1.52Å | |
| O1 | C3 | sing | 1.36Å | 1.36Å | |
| C13 | O4 | doub | 1.22Å | 1.23Å | |
| C13 | N1 | sing | 1.35Å | 1.37Å | |
| N4 | C18 | sing | 1.47Å | 1.45Å | |
| N4 | C17 | sing | 1.37Å | 1.34Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C17 | N3 | sing | 1.37Å | 1.34Å | |
| C19 | C20 | sing | 1.55Å | 1.53Å | |
| C16 | N3 | sing | 1.46Å | 1.46Å | |
| N1 | C8 | sing | 1.40Å | 1.42Å | |
| C7 | C4 | doub | 1.40Å | 1.42Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C3 | C2 | doub | 1.36Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.42Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.41Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.54Å | 1.54Å | |
| C21 | O6 | sing | 1.43Å | 1.42Å | |
| C5 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| C5 | C10 | doub | 1.41Å | 1.42Å | Aromatic |
| C9 | C10 | sing | 1.36Å | 1.36Å | Aromatic |
| C1 | C11 | sing | 1.48Å | 1.50Å | |
| C1 | C6 | doub | 1.39Å | 1.37Å | Aromatic |
| C20 | O5 | sing | 1.43Å | 1.42Å | |
| O3 | C11 | doub | 1.22Å | 1.21Å | |
| C11 | O2 | sing | 1.35Å | 1.34Å | |
| O2 | C12 | sing | 1.45Å | 1.46Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| O1 | H6 | sing | 0.97Å | 0.95Å | |
| O5 | H25 | sing | 0.97Å | 0.95Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| N4 | H19 | sing | 0.97Å | 1.00Å | |
| N5 | H20 | sing | 0.97Å | 1.00Å | |
| N8 | H31 | sing | 0.97Å | 1.00Å | |
| N8 | H30 | sing | 0.97Å | 1.00Å | |
| O6 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C25 | N9 | 118.5° | 120.8° |
| N8 | C25 | C24 | 123.8° | 120.8° |
| C25 | N8 | H31 | 109.5° | 120.0° |
| C25 | N8 | H30 | 109.4° | 120.0° |
| C25 | N9 | C26 | 119.0° | 121.2° |
| N9 | C25 | C24 | 117.7° | 118.4° |
| N9 | C26 | N10 | 128.8° | 122.5° |
| N9 | C26 | H32 | 115.6° | 118.8° |
| C25 | C24 | N7 | 132.5° | 134.6° |
| C25 | C24 | C27 | 116.6° | 118.2° |
| C26 | N10 | C27 | 110.8° | 120.7° |
| N10 | C26 | H32 | 115.6° | 118.8° |
| N7 | C24 | C27 | 110.9° | 107.2° |
| C24 | N7 | C23 | 103.7° | 109.4° |
| C24 | C27 | N10 | 127.1° | 119.1° |
| C24 | C27 | N6 | 105.7° | 106.0° |
| N7 | C23 | N6 | 114.1° | 110.0° |
| N7 | C23 | H29 | 122.9° | 125.0° |
| N10 | C27 | N6 | 127.2° | 135.0° |
| C27 | N6 | C23 | 105.6° | 107.5° |
| C27 | N6 | C22 | 126.7° | 126.2° |
| C23 | N6 | C22 | 127.7° | 126.3° |
| N6 | C23 | H29 | 123.0° | 125.0° |
| N6 | C22 | O7 | 108.3° | 110.5° |
| N6 | C22 | C21 | 114.7° | 110.4° |
| N6 | C22 | H28 | 109.8° | 110.3° |
| N2 | C14 | C15 | 113.6° | 109.4° |
| C14 | N2 | C13 | 121.6° | 120.0° |
| N2 | C14 | H12 | 108.5° | 109.5° |
| N2 | C14 | H13 | 108.5° | 109.5° |
| C14 | N2 | H11 | 119.2° | 120.0° |
| C14 | C15 | C16 | 112.0° | 109.5° |
| C15 | C14 | H12 | 108.4° | 109.4° |
| C15 | C14 | H13 | 108.4° | 109.5° |
| C14 | C15 | H14 | 108.8° | 109.5° |
| C14 | C15 | H15 | 108.8° | 109.5° |
| C22 | O7 | C19 | 107.8° | 105.3° |
| O7 | C22 | C21 | 104.8° | 104.8° |
| O7 | C22 | H28 | 110.4° | 110.3° |
| O7 | C19 | C18 | 111.0° | 110.4° |
| O7 | C19 | C20 | 106.6° | 104.8° |
| O7 | C19 | H23 | 108.7° | 110.5° |
| N2 | C13 | O4 | 122.1° | 120.0° |
| N2 | C13 | N1 | 114.5° | 120.0° |
| C13 | N2 | H11 | 119.2° | 120.0° |
| C15 | C16 | N3 | 113.2° | 109.5° |
| C16 | C15 | H14 | 108.8° | 109.5° |
| C16 | C15 | H15 | 108.8° | 109.5° |
| C15 | C16 | H16 | 108.5° | 109.5° |
| C15 | C16 | H17 | 108.5° | 109.5° |
| N5 | C17 | N4 | 115.2° | 120.0° |
| N5 | C17 | N3 | 125.1° | 120.0° |
| C17 | N5 | H20 | 112.0° | 120.0° |
| C22 | C21 | C20 | 102.1° | 104.0° |
| C22 | C21 | O6 | 109.8° | 110.5° |
| C22 | C21 | H26 | 110.5° | 110.6° |
| C21 | C22 | H28 | 108.8° | 110.4° |
| O1 | C3 | C4 | 116.0° | 120.0° |
| O1 | C3 | C2 | 123.0° | 120.0° |
| C3 | O1 | H6 | 109.5° | 114.0° |
| O4 | C13 | N1 | 123.3° | 120.0° |
| C13 | N1 | C8 | 126.7° | 120.0° |
| C13 | N1 | H7 | 116.6° | 120.0° |
| C18 | N4 | C17 | 123.0° | 120.0° |
| N4 | C18 | C19 | 113.2° | 109.5° |
| N4 | C18 | H21 | 108.6° | 109.5° |
| N4 | C18 | H22 | 108.5° | 109.5° |
| C18 | N4 | H19 | 118.5° | 119.9° |
| N4 | C17 | N3 | 119.7° | 120.0° |
| C17 | N4 | H19 | 118.6° | 120.0° |
| C18 | C19 | C20 | 115.0° | 110.4° |
| C19 | C18 | H21 | 108.5° | 109.5° |
| C19 | C18 | H22 | 108.5° | 109.5° |
| C18 | C19 | H23 | 107.8° | 110.4° |
| C17 | N3 | C16 | 122.7° | 120.0° |
| C17 | N3 | H18 | 118.7° | 119.9° |
| C19 | C20 | C21 | 104.1° | 104.1° |
| C19 | C20 | O5 | 110.1° | 110.5° |
| C20 | C19 | H23 | 107.6° | 110.3° |
| C19 | C20 | H24 | 109.4° | 110.4° |
| N3 | C16 | H16 | 108.5° | 109.5° |
| N3 | C16 | H17 | 108.5° | 109.5° |
| C16 | N3 | H18 | 118.6° | 120.0° |
| N1 | C8 | C7 | 119.2° | 119.6° |
| N1 | C8 | C9 | 121.3° | 119.7° |
| C8 | N1 | H7 | 116.6° | 120.0° |
| C4 | C7 | C8 | 121.3° | 119.6° |
| C7 | C4 | C3 | 123.3° | 121.0° |
| C7 | C4 | C5 | 118.5° | 119.4° |
| C4 | C7 | H3 | 119.3° | 120.2° |
| C7 | C8 | C9 | 119.5° | 120.7° |
| C8 | C7 | H3 | 119.4° | 120.3° |
| C4 | C3 | C2 | 121.0° | 120.0° |
| C3 | C4 | C5 | 118.2° | 119.6° |
| C3 | C2 | C1 | 120.5° | 120.7° |
| C3 | C2 | H1 | 119.8° | 119.7° |
| C4 | C5 | C6 | 119.0° | 119.5° |
| C4 | C5 | C10 | 118.6° | 119.5° |
| C8 | C9 | C10 | 121.2° | 120.9° |
| C8 | C9 | H4 | 119.4° | 119.6° |
| C2 | C1 | C11 | 118.5° | 119.7° |
| C2 | C1 | C6 | 120.0° | 120.6° |
| C1 | C2 | H1 | 119.8° | 119.6° |
| C20 | C21 | O6 | 111.6° | 110.5° |
| C21 | C20 | O5 | 112.7° | 110.5° |
| C21 | C20 | H24 | 109.4° | 110.6° |
| C20 | C21 | H26 | 110.3° | 110.5° |
| O6 | C21 | H26 | 112.1° | 110.5° |
| C21 | O6 | H27 | 109.5° | 114.0° |
| C6 | C5 | C10 | 122.4° | 121.0° |
| C5 | C6 | C1 | 121.2° | 119.6° |
| C5 | C6 | H2 | 119.4° | 120.2° |
| C5 | C10 | C9 | 121.0° | 119.9° |
| C5 | C10 | H5 | 119.5° | 120.1° |
| C9 | C10 | H5 | 119.5° | 120.0° |
| C10 | C9 | H4 | 119.4° | 119.5° |
| C11 | C1 | C6 | 121.5° | 119.8° |
| C1 | C11 | O3 | 123.8° | 120.0° |
| C1 | C11 | O2 | 112.5° | 120.0° |
| C1 | C6 | H2 | 119.4° | 120.2° |
| C20 | O5 | H25 | 109.5° | 114.0° |
| O5 | C20 | H24 | 111.0° | 110.5° |
| O3 | C11 | O2 | 123.6° | 120.0° |
| C11 | O2 | C12 | 117.2° | 117.0° |
| O2 | C12 | H8 | 109.5° | 109.5° |
| O2 | C12 | H10 | 109.5° | 109.5° |
| O2 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.4° | 109.4° |
| H8 | C12 | H9 | 109.5° | 109.4° |
| H10 | C12 | H9 | 109.5° | 109.4° |
| H12 | C14 | H13 | 109.4° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.4° |
| H16 | C16 | H17 | 109.4° | 109.5° |
| H21 | C18 | H22 | 109.5° | 109.5° |
| H31 | N8 | H30 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C25 | N9 | C24 | 178.9° | 180.0° |
| N8 | C25 | N9 | C26 | 178.2° | 179.8° |
| N8 | C25 | C24 | N7 | 2.4° | 0.0° |
| N8 | C25 | C24 | C27 | 177.1° | 179.7° |
| C25 | N8 | H31 | H30 | 120.0° | 179.9° |
| C25 | N9 | C26 | N10 | 0.4° | 0.0° |
| N9 | C25 | C24 | N7 | 178.8° | 179.9° |
| N9 | C25 | C24 | C27 | 1.7° | 0.3° |
| C25 | N9 | C26 | H32 | 179.6° | 179.9° |
| N9 | C25 | N8 | H31 | 0.0° | 180.0° |
| N9 | C25 | N8 | H30 | 120.0° | 0.1° |
| C26 | N9 | C25 | C24 | 0.7° | 0.2° |
| N9 | C26 | N10 | H32 | 180.0° | 179.9° |
| N9 | C26 | N10 | C27 | 0.3° | 0.2° |
| C25 | C24 | N7 | C27 | 179.5° | 179.7° |
| C25 | C24 | N7 | C23 | 178.2° | 180.0° |
| C25 | C24 | C27 | N10 | 2.0° | 0.1° |
| C25 | C24 | C27 | N6 | 177.7° | 179.9° |
| C24 | C25 | N8 | H31 | 178.8° | 0.0° |
| C24 | C25 | N8 | H30 | 58.8° | 179.9° |
| C26 | N10 | C27 | C24 | 1.0° | 0.1° |
| C26 | N10 | C27 | N6 | 178.7° | 179.5° |
| N7 | C24 | C27 | N10 | 178.4° | 179.9° |
| N7 | C24 | C27 | N6 | 1.9° | 0.4° |
| C24 | N7 | C23 | N6 | 0.2° | 0.1° |
| C24 | N7 | C23 | H29 | 179.8° | 179.8° |
| C27 | C24 | N7 | C23 | 1.3° | 0.3° |
| C24 | C27 | N10 | N6 | 179.6° | 179.6° |
| C24 | C27 | N6 | C23 | 1.7° | 0.3° |
| C24 | C27 | N6 | C22 | 175.5° | 179.7° |
| N7 | C23 | N6 | C27 | 1.0° | 0.2° |
| N7 | C23 | N6 | H29 | 180.0° | 179.8° |
| N7 | C23 | N6 | C22 | 176.2° | 179.8° |
| N10 | C27 | N6 | C23 | 178.7° | 180.0° |
| N10 | C27 | N6 | C22 | 4.2° | 0.0° |
| C27 | N10 | C26 | H32 | 179.7° | 179.9° |
| C27 | N6 | C23 | C22 | 177.2° | 180.0° |
| C27 | N6 | C22 | O7 | 97.5° | 159.5° |
| C27 | N6 | C22 | C21 | 145.8° | 85.0° |
| C27 | N6 | C22 | H28 | 23.0° | 37.3° |
| C27 | N6 | C23 | H29 | 179.0° | 180.0° |
| C23 | N6 | C22 | O7 | 79.0° | 20.5° |
| C23 | N6 | C22 | C21 | 37.6° | 95.0° |
| C23 | N6 | C22 | H28 | 160.4° | 142.7° |
| N6 | C22 | O7 | C21 | 122.9° | 118.9° |
| N6 | C22 | O7 | H28 | 120.2° | 122.2° |
| N6 | C22 | O7 | C19 | 160.3° | 159.4° |
| N6 | C22 | C21 | H28 | 123.3° | 122.2° |
| N6 | C22 | C21 | C20 | 155.5° | 142.9° |
| N6 | C22 | C21 | O6 | 86.0° | 98.4° |
| N6 | C22 | C21 | H26 | 38.2° | 24.3° |
| C22 | N6 | C23 | H29 | 3.8° | 0.0° |
| N2 | C14 | C15 | H12 | 120.6° | 120.0° |
| N2 | C14 | C15 | H13 | 120.6° | 120.0° |
| C14 | N2 | C13 | H11 | 180.0° | 180.0° |
| N2 | C14 | C15 | C16 | 104.6° | 180.0° |
| C14 | N2 | C13 | O4 | 5.8° | 0.0° |
| C14 | N2 | C13 | N1 | 173.0° | 180.0° |
| N2 | C14 | H12 | H13 | 118.1° | 120.0° |
| N2 | C14 | C15 | H14 | 15.7° | 60.0° |
| N2 | C14 | C15 | H15 | 135.0° | 60.0° |
| C15 | C14 | N2 | C13 | 120.7° | 180.0° |
| C14 | C15 | C16 | H14 | 120.4° | 120.0° |
| C14 | C15 | C16 | H15 | 120.4° | 120.0° |
| C14 | C15 | C16 | N3 | 16.4° | 180.0° |
| C15 | C14 | H12 | H13 | 118.1° | 120.0° |
| C14 | C15 | H14 | H15 | 118.9° | 120.0° |
| C14 | C15 | C16 | H16 | 137.0° | 60.0° |
| C14 | C15 | C16 | H17 | 104.2° | 60.0° |
| C15 | C14 | N2 | H11 | 59.3° | 0.0° |
| O7 | C22 | C21 | H28 | 118.0° | 118.8° |
| C22 | O7 | C19 | C18 | 148.0° | 159.3° |
| C22 | O7 | C19 | C20 | 22.1° | 40.5° |
| O7 | C22 | C21 | C20 | 36.9° | 24.0° |
| O7 | C22 | C21 | O6 | 155.4° | 142.6° |
| C22 | O7 | C19 | H23 | 93.5° | 78.3° |
| O7 | C22 | C21 | H26 | 80.5° | 94.7° |
| C19 | O7 | C22 | C21 | 37.5° | 40.5° |
| O7 | C19 | C18 | N4 | 62.1° | 69.6° |
| O7 | C19 | C18 | C20 | 121.1° | 115.4° |
| O7 | C19 | C18 | H23 | 119.0° | 122.4° |
| O7 | C19 | C20 | H23 | 116.5° | 118.9° |
| O7 | C19 | C20 | C21 | 1.9° | 23.9° |
| O7 | C19 | C20 | O5 | 119.1° | 142.6° |
| O7 | C19 | C18 | H21 | 177.3° | 170.4° |
| O7 | C19 | C18 | H22 | 58.4° | 50.4° |
| O7 | C19 | C20 | H24 | 118.7° | 94.8° |
| C19 | O7 | C22 | H28 | 79.5° | 78.4° |
| N2 | C13 | O4 | N1 | 178.7° | 180.0° |
| N2 | C13 | N1 | C8 | 168.1° | 174.7° |
| C13 | N2 | C14 | H12 | 118.7° | 60.1° |
| C13 | N2 | C14 | H13 | 0.0° | 60.0° |
| N2 | C13 | N1 | H7 | 11.9° | 5.3° |
| C15 | C16 | N3 | C17 | 107.8° | 180.0° |
| C15 | C16 | N3 | H16 | 120.6° | 120.0° |
| C15 | C16 | N3 | H17 | 120.6° | 120.0° |
| C16 | C15 | C14 | H12 | 134.7° | 60.0° |
| C16 | C15 | C14 | H13 | 16.0° | 60.0° |
| C16 | C15 | H14 | H15 | 118.8° | 120.0° |
| C15 | C16 | H16 | H17 | 118.3° | 120.0° |
| C15 | C16 | N3 | H18 | 72.2° | 0.0° |
| N5 | C17 | N4 | C18 | 33.3° | 0.0° |
| N5 | C17 | N4 | N3 | 178.6° | 179.9° |
| N5 | C17 | N3 | C16 | 24.4° | 0.1° |
| N5 | C17 | N3 | H18 | 155.6° | 180.0° |
| N5 | C17 | N4 | H19 | 146.7° | 180.0° |
| C22 | C21 | C20 | C19 | 22.7° | 0.0° |
| C22 | C21 | C20 | O6 | 117.2° | 118.6° |
| C22 | C21 | C20 | H26 | 117.5° | 118.8° |
| C22 | C21 | O6 | H26 | 123.3° | 122.8° |
| C22 | C21 | C20 | O5 | 96.5° | 118.6° |
| C22 | C21 | C20 | H24 | 139.6° | 118.6° |
| C22 | C21 | O6 | H27 | 180.0° | 176.1° |
| O1 | C3 | C4 | C7 | 3.3° | 0.0° |
| O1 | C3 | C4 | C2 | 178.6° | 180.0° |
| O1 | C3 | C4 | C5 | 178.2° | 180.0° |
| O1 | C3 | C2 | C1 | 175.4° | 180.0° |
| O1 | C3 | C2 | H1 | 4.6° | 0.0° |
| O4 | C13 | N1 | C8 | 10.6° | 5.3° |
| O4 | C13 | N1 | H7 | 169.4° | 174.7° |
| O4 | C13 | N2 | H11 | 174.2° | 180.0° |
| C13 | N1 | C8 | H7 | 180.0° | 180.0° |
| C13 | N1 | C8 | C7 | 143.1° | 146.4° |
| C13 | N1 | C8 | C9 | 35.5° | 33.7° |
| N1 | C13 | N2 | H11 | 7.0° | 0.0° |
| C18 | N4 | C17 | H19 | 180.0° | 180.0° |
| N4 | C18 | C19 | H21 | 120.6° | 120.0° |
| N4 | C18 | C19 | H22 | 120.5° | 120.0° |
| C18 | N4 | C17 | N3 | 148.1° | 180.0° |
| N4 | C18 | C19 | C20 | 58.9° | 175.0° |
| N4 | C18 | H21 | H22 | 118.3° | 120.0° |
| N4 | C18 | C19 | H23 | 178.9° | 52.8° |
| C17 | N4 | C18 | C19 | 164.6° | 180.0° |
| N4 | C17 | N3 | C16 | 154.1° | 180.0° |
| C17 | N4 | C18 | H21 | 44.1° | 60.0° |
| C17 | N4 | C18 | H22 | 74.9° | 60.0° |
| N4 | C17 | N3 | H18 | 25.9° | 0.0° |
| N4 | C17 | N5 | H20 | 178.6° | 180.0° |
| C18 | C19 | C20 | H23 | 120.1° | 122.2° |
| C18 | C19 | C20 | C21 | 121.6° | 142.8° |
| C18 | C19 | C20 | O5 | 117.4° | 98.5° |
| C19 | C18 | H21 | H22 | 118.3° | 120.0° |
| C18 | C19 | C20 | H24 | 4.8° | 24.0° |
| C19 | C18 | N4 | H19 | 15.4° | 0.0° |
| C17 | N3 | C16 | H18 | 180.0° | 180.0° |
| C17 | N3 | C16 | H16 | 131.7° | 60.0° |
| C17 | N3 | C16 | H17 | 12.8° | 59.9° |
| N3 | C17 | N4 | H19 | 31.9° | 0.1° |
| N3 | C17 | N5 | H20 | 0.0° | 0.1° |
| C19 | C20 | C21 | O5 | 119.3° | 118.7° |
| C19 | C20 | C21 | H24 | 116.8° | 118.6° |
| C19 | C20 | C21 | O6 | 139.9° | 118.6° |
| C19 | C20 | O5 | H24 | 121.3° | 122.5° |
| C19 | C20 | O5 | H25 | 180.0° | 180.0° |
| C20 | C19 | C18 | H21 | 61.6° | 55.0° |
| C20 | C19 | C18 | H22 | 179.5° | 65.0° |
| C19 | C20 | C21 | H26 | 94.8° | 118.8° |
| N3 | C16 | C15 | H14 | 104.0° | 60.0° |
| N3 | C16 | C15 | H15 | 136.8° | 60.0° |
| N3 | C16 | H16 | H17 | 118.3° | 120.0° |
| N1 | C8 | C7 | C4 | 178.1° | 180.0° |
| N1 | C8 | C7 | C9 | 178.5° | 179.9° |
| N1 | C8 | C9 | C10 | 177.1° | 180.0° |
| N1 | C8 | C7 | H3 | 1.8° | 0.1° |
| N1 | C8 | C9 | H4 | 2.9° | 0.1° |
| C4 | C7 | C8 | H3 | 180.0° | 180.0° |
| C7 | C4 | C3 | C5 | 178.4° | 180.0° |
| C7 | C4 | C3 | C2 | 178.1° | 180.0° |
| C4 | C7 | C8 | C9 | 0.4° | 0.1° |
| C7 | C4 | C5 | C6 | 179.7° | 179.8° |
| C7 | C4 | C5 | C10 | 1.5° | 0.1° |
| C8 | C7 | C4 | C3 | 177.4° | 180.0° |
| C8 | C7 | C4 | C5 | 1.1° | 0.0° |
| C7 | C8 | C9 | C10 | 1.5° | 0.1° |
| C7 | C8 | C9 | H4 | 178.6° | 180.0° |
| C7 | C8 | N1 | H7 | 36.9° | 33.6° |
| C4 | C3 | C2 | C1 | 3.1° | 0.0° |
| C3 | C4 | C5 | C6 | 1.8° | 0.2° |
| C3 | C4 | C5 | C10 | 177.0° | 180.0° |
| C4 | C3 | C2 | H1 | 176.9° | 180.0° |
| C4 | C3 | O1 | H6 | 180.0° | 90.0° |
| C3 | C4 | C7 | H3 | 2.7° | 0.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C11 | 175.1° | 180.0° |
| C3 | C2 | C1 | C6 | 3.7° | 0.3° |
| C2 | C3 | O1 | H6 | 1.5° | 90.0° |
| C4 | C5 | C6 | C10 | 178.7° | 179.8° |
| C4 | C5 | C10 | C9 | 0.5° | 0.0° |
| C4 | C5 | C6 | C1 | 1.2° | 0.5° |
| C4 | C5 | C6 | H2 | 178.8° | 179.7° |
| C4 | C5 | C10 | H5 | 179.5° | 180.0° |
| C5 | C4 | C7 | H3 | 178.9° | 180.0° |
| C8 | C9 | C10 | C5 | 1.0° | 0.0° |
| C8 | C9 | C10 | H4 | 180.0° | 179.9° |
| C8 | C9 | C10 | H5 | 179.0° | 180.0° |
| C9 | C8 | C7 | H3 | 179.6° | 179.9° |
| C9 | C8 | N1 | H7 | 144.6° | 146.3° |
| C2 | C1 | C6 | C5 | 1.6° | 0.5° |
| C2 | C1 | C11 | C6 | 178.8° | 179.7° |
| C2 | C1 | C11 | O3 | 7.5° | 179.7° |
| C2 | C1 | C11 | O2 | 175.6° | 0.3° |
| C2 | C1 | C6 | H2 | 178.4° | 179.7° |
| C20 | C21 | O6 | H26 | 124.3° | 122.6° |
| C21 | C20 | O5 | H24 | 123.0° | 122.8° |
| C21 | C20 | O5 | H25 | 64.2° | 65.4° |
| C21 | C20 | C19 | H23 | 118.3° | 95.0° |
| C20 | C21 | C22 | H28 | 81.1° | 94.8° |
| C20 | C21 | O6 | H27 | 67.6° | 61.5° |
| O6 | C21 | C20 | O5 | 20.6° | 0.0° |
| O6 | C21 | C20 | H24 | 103.3° | 122.7° |
| O6 | C21 | C22 | H28 | 37.3° | 23.8° |
| C6 | C5 | C10 | C9 | 179.3° | 179.8° |
| C5 | C6 | C1 | C11 | 177.2° | 179.8° |
| C5 | C6 | C1 | H2 | 180.0° | 179.8° |
| C6 | C5 | C10 | H5 | 0.7° | 0.2° |
| C5 | C10 | C9 | H5 | 180.0° | 180.0° |
| C10 | C5 | C6 | C1 | 177.6° | 179.7° |
| C10 | C5 | C6 | H2 | 2.4° | 0.1° |
| C5 | C10 | C9 | H4 | 179.0° | 180.0° |
| C1 | C11 | O3 | O2 | 176.5° | 179.9° |
| C1 | C11 | O2 | C12 | 166.5° | 180.0° |
| C11 | C1 | C2 | H1 | 4.9° | 0.0° |
| C11 | C1 | C6 | H2 | 2.8° | 0.0° |
| C6 | C1 | C11 | O3 | 173.7° | 0.1° |
| C6 | C1 | C11 | O2 | 3.2° | 180.0° |
| C6 | C1 | C2 | H1 | 176.3° | 179.7° |
| O5 | C20 | C19 | H23 | 2.7° | 23.7° |
| O5 | C20 | C21 | H26 | 146.0° | 122.6° |
| O3 | C11 | O2 | C12 | 16.6° | 0.1° |
| C11 | O2 | C12 | H8 | 180.0° | 60.0° |
| C11 | O2 | C12 | H10 | 60.0° | 180.0° |
| C11 | O2 | C12 | H9 | 60.0° | 60.0° |
| O2 | C12 | H8 | H10 | 120.0° | 120.1° |
| O2 | C12 | H8 | H9 | 120.0° | 120.0° |
| O2 | C12 | H10 | H9 | 120.0° | 120.0° |
| H25 | O5 | C20 | H24 | 58.8° | 57.4° |
| H5 | C10 | C9 | H4 | 1.0° | 0.0° |
| H8 | C12 | H10 | H9 | 120.0° | 119.9° |
| H12 | C14 | C15 | H14 | 104.9° | 60.0° |
| H12 | C14 | C15 | H15 | 14.4° | 180.0° |
| H12 | C14 | N2 | H11 | 61.3° | 120.0° |
| H13 | C14 | C15 | H14 | 136.4° | 179.9° |
| H13 | C14 | C15 | H15 | 104.4° | 60.0° |
| H13 | C14 | N2 | H11 | 180.0° | 119.9° |
| H14 | C15 | C16 | H16 | 16.6° | 180.0° |
| H14 | C15 | C16 | H17 | 135.5° | 60.0° |
| H15 | C15 | C16 | H16 | 102.7° | 60.0° |
| H15 | C15 | C16 | H17 | 16.2° | 180.0° |
| H16 | C16 | N3 | H18 | 48.3° | 120.0° |
| H17 | C16 | N3 | H18 | 167.2° | 120.0° |
| H21 | C18 | C19 | H23 | 58.3° | 67.2° |
| H21 | C18 | N4 | H19 | 135.9° | 120.0° |
| H22 | C18 | C19 | H23 | 60.6° | 172.8° |
| H22 | C18 | N4 | H19 | 105.1° | 120.0° |
| H23 | C19 | C20 | H24 | 124.8° | 146.3° |
| H24 | C20 | C21 | H26 | 22.1° | 0.1° |
| H26 | C21 | C22 | H28 | 161.5° | 146.5° |
| H26 | C21 | O6 | H27 | 56.7° | 61.1° |
