A1ERY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N1 | sing | 1.35Å | 1.36Å | |
| C1 | C8 | sing | 1.50Å | 1.54Å | |
| N1 | C2 | sing | 1.40Å | 1.41Å | |
| C2 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.50Å | 1.51Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C8 | C27 | sing | 1.54Å | 1.55Å | |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | N2 | doub | 1.28Å | 1.30Å | |
| N3 | C12 | sing | 1.35Å | 1.35Å | |
| N3 | C27 | sing | 1.48Å | 1.47Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | O3 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | N4 | sing | 1.46Å | 1.48Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| N4 | C18 | sing | 1.36Å | 1.38Å | |
| N4 | C26 | sing | 1.35Å | 1.41Å | |
| C18 | C19 | doub | 1.35Å | 1.36Å | |
| C19 | C20 | sing | 1.46Å | 1.40Å | |
| C20 | N5 | sing | 1.34Å | 1.39Å | Aromatic |
| C20 | C25 | doub | 1.40Å | 1.39Å | Aromatic |
| N5 | C21 | doub | 1.31Å | 1.33Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.47Å | |
| C21 | N6 | sing | 1.35Å | 1.35Å | Aromatic |
| C22 | C23 | sing | 1.53Å | 1.50Å | |
| C22 | C24 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.47Å | |
| N6 | C25 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.42Å | |
| C26 | O2 | doub | 1.22Å | 1.23Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| N6 | H26 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| C11 | H29 | sing | 1.08Å | 1.08Å | |
| N2 | H30 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 127.0° | 126.7° |
| O1 | C1 | C8 | 125.4° | 126.8° |
| N1 | C1 | C8 | 107.6° | 106.4° |
| C1 | N1 | C2 | 111.9° | 112.1° |
| C1 | N1 | H1 | 124.0° | 123.9° |
| C1 | C8 | C3 | 102.5° | 105.5° |
| C1 | C8 | C9 | 111.4° | 111.9° |
| C1 | C8 | C27 | 113.3° | 112.2° |
| N1 | C2 | C3 | 109.1° | 110.2° |
| N1 | C2 | C7 | 128.8° | 130.8° |
| C2 | N1 | H1 | 124.0° | 124.0° |
| C3 | C2 | C7 | 122.0° | 119.0° |
| C2 | C3 | C4 | 120.0° | 120.6° |
| C2 | C3 | C8 | 108.8° | 105.6° |
| C2 | C7 | C6 | 117.5° | 120.2° |
| C2 | C7 | H5 | 121.2° | 119.9° |
| C4 | C3 | C8 | 131.2° | 133.8° |
| C3 | C4 | C5 | 118.6° | 120.1° |
| C3 | C4 | H2 | 120.7° | 120.0° |
| C3 | C8 | C9 | 113.1° | 112.2° |
| C3 | C8 | C27 | 115.3° | 112.1° |
| C4 | C5 | C6 | 120.3° | 119.8° |
| C5 | C4 | H2 | 120.7° | 119.9° |
| C4 | C5 | H3 | 119.8° | 120.1° |
| C5 | C6 | C7 | 121.5° | 120.3° |
| C6 | C5 | H3 | 119.8° | 120.1° |
| C5 | C6 | H4 | 119.2° | 119.8° |
| C7 | C6 | H4 | 119.3° | 119.9° |
| C6 | C7 | H5 | 121.3° | 119.8° |
| C9 | C8 | C27 | 101.7° | 103.2° |
| C8 | C9 | C10 | 104.2° | 102.8° |
| C8 | C9 | H6 | 110.8° | 110.8° |
| C8 | C9 | H7 | 110.8° | 110.7° |
| C8 | C27 | N3 | 101.1° | 104.7° |
| C8 | C27 | H27 | 111.5° | 110.4° |
| C8 | C27 | H28 | 111.5° | 110.4° |
| C9 | C10 | C11 | 107.8° | 109.9° |
| C9 | C10 | N3 | 104.5° | 107.3° |
| C10 | C9 | H6 | 110.8° | 110.8° |
| C10 | C9 | H7 | 110.8° | 110.7° |
| C9 | C10 | H8 | 109.6° | 109.8° |
| C11 | C10 | N3 | 114.5° | 109.9° |
| C10 | C11 | N2 | 120.3° | 120.0° |
| C11 | C10 | H8 | 109.8° | 109.8° |
| C10 | C11 | H29 | 119.9° | 120.0° |
| C10 | N3 | C12 | 122.6° | 125.6° |
| C10 | N3 | C27 | 111.3° | 108.8° |
| N3 | C10 | H8 | 110.5° | 110.0° |
| N2 | C11 | H29 | 119.9° | 120.0° |
| C11 | N2 | H30 | 112.0° | 120.0° |
| C12 | N3 | C27 | 125.8° | 125.6° |
| N3 | C12 | C13 | 120.0° | 120.0° |
| N3 | C12 | O3 | 119.9° | 120.0° |
| N3 | C27 | H27 | 111.5° | 110.4° |
| N3 | C27 | H28 | 111.5° | 110.4° |
| C13 | C12 | O3 | 120.1° | 120.0° |
| C12 | C13 | C14 | 107.0° | 109.5° |
| C12 | C13 | N4 | 110.8° | 109.4° |
| C12 | C13 | H9 | 108.0° | 109.5° |
| C14 | C13 | N4 | 114.4° | 109.5° |
| C13 | C14 | C15 | 120.6° | 109.5° |
| C14 | C13 | H9 | 107.9° | 109.5° |
| C13 | C14 | H10 | 106.6° | 109.5° |
| C13 | C14 | H11 | 106.6° | 109.4° |
| C13 | N4 | C18 | 120.2° | 119.0° |
| C13 | N4 | C26 | 117.5° | 119.0° |
| N4 | C13 | H9 | 108.6° | 109.5° |
| C14 | C15 | C16 | 112.6° | 109.4° |
| C14 | C15 | C17 | 109.7° | 109.5° |
| C15 | C14 | H10 | 106.6° | 109.5° |
| C15 | C14 | H11 | 106.7° | 109.5° |
| C14 | C15 | H12 | 108.3° | 109.5° |
| C16 | C15 | C17 | 109.6° | 109.5° |
| C16 | C15 | H12 | 108.2° | 109.5° |
| C15 | C16 | H13 | 109.5° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.5° |
| C15 | C16 | H15 | 109.5° | 109.5° |
| C17 | C15 | H12 | 108.3° | 109.5° |
| C15 | C17 | H16 | 109.5° | 109.4° |
| C15 | C17 | H17 | 109.4° | 109.4° |
| C15 | C17 | H18 | 109.5° | 109.5° |
| C18 | N4 | C26 | 122.2° | 122.0° |
| N4 | C18 | C19 | 121.7° | 121.3° |
| N4 | C18 | H19 | 119.2° | 119.3° |
| N4 | C26 | C25 | 115.5° | 120.3° |
| N4 | C26 | O2 | 119.5° | 119.8° |
| C18 | C19 | C20 | 119.0° | 119.0° |
| C19 | C18 | H19 | 119.2° | 119.4° |
| C18 | C19 | H20 | 120.5° | 120.5° |
| C19 | C20 | N5 | 131.6° | 134.5° |
| C19 | C20 | C25 | 120.1° | 118.3° |
| C20 | C19 | H20 | 120.5° | 120.5° |
| N5 | C20 | C25 | 108.3° | 107.2° |
| C20 | N5 | C21 | 106.7° | 109.7° |
| C20 | C25 | N6 | 105.8° | 106.0° |
| C20 | C25 | C26 | 121.5° | 119.1° |
| N5 | C21 | C22 | 126.2° | 125.1° |
| N5 | C21 | N6 | 110.7° | 109.9° |
| C22 | C21 | N6 | 123.0° | 125.0° |
| C21 | C22 | C23 | 120.1° | 117.5° |
| C21 | C22 | C24 | 120.9° | 117.5° |
| C21 | C22 | H21 | 115.5° | 115.6° |
| C21 | N6 | C25 | 108.4° | 107.2° |
| C21 | N6 | H26 | 125.8° | 126.3° |
| C23 | C22 | C24 | 58.6° | 60.0° |
| C22 | C23 | C24 | 61.2° | 60.0° |
| C23 | C22 | H21 | 115.0° | 117.5° |
| C22 | C23 | H22 | 119.8° | 117.5° |
| C22 | C23 | H23 | 119.8° | 117.5° |
| C22 | C24 | C23 | 60.2° | 60.0° |
| C24 | C22 | H21 | 114.8° | 117.5° |
| C22 | C24 | H24 | 119.9° | 117.5° |
| C22 | C24 | H25 | 119.9° | 117.5° |
| C24 | C23 | H22 | 119.8° | 117.5° |
| C24 | C23 | H23 | 119.8° | 117.5° |
| C23 | C24 | H24 | 120.0° | 117.5° |
| C23 | C24 | H25 | 120.0° | 117.5° |
| N6 | C25 | C26 | 132.7° | 134.9° |
| C25 | N6 | H26 | 125.8° | 126.4° |
| C25 | C26 | O2 | 125.0° | 119.9° |
| H6 | C9 | H7 | 109.5° | 110.8° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.4° | 109.4° |
| H13 | C16 | H15 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H16 | C17 | H17 | 109.5° | 109.5° |
| H16 | C17 | H18 | 109.5° | 109.4° |
| H17 | C17 | H18 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.4° | 115.6° |
| H24 | C24 | H25 | 109.5° | 115.6° |
| H27 | C27 | H28 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | C8 | 179.0° | 179.8° |
| O1 | C1 | N1 | C2 | 176.9° | 179.8° |
| O1 | C1 | C8 | C3 | 177.6° | 179.6° |
| O1 | C1 | C8 | C9 | 56.5° | 58.1° |
| O1 | C1 | C8 | C27 | 57.5° | 57.3° |
| O1 | C1 | N1 | H1 | 3.1° | 0.1° |
| C1 | N1 | C2 | H1 | 180.0° | 179.9° |
| C1 | N1 | C2 | C3 | 3.2° | 0.0° |
| C1 | N1 | C2 | C7 | 177.0° | 179.9° |
| N1 | C1 | C8 | C3 | 3.4° | 0.6° |
| N1 | C1 | C8 | C9 | 124.5° | 121.7° |
| N1 | C1 | C8 | C27 | 121.5° | 122.9° |
| C8 | C1 | N1 | C2 | 4.1° | 0.4° |
| C1 | C8 | C3 | C2 | 1.5° | 0.6° |
| C1 | C8 | C3 | C4 | 176.8° | 179.8° |
| C1 | C8 | C3 | C9 | 120.0° | 122.1° |
| C1 | C8 | C3 | C27 | 123.6° | 122.4° |
| C1 | C8 | C9 | C27 | 121.0° | 120.8° |
| C1 | C8 | C9 | C10 | 158.0° | 154.7° |
| C1 | C8 | C27 | N3 | 159.9° | 155.9° |
| C8 | C1 | N1 | H1 | 175.9° | 179.7° |
| C1 | C8 | C9 | H6 | 82.8° | 86.9° |
| C1 | C8 | C9 | H7 | 38.9° | 36.4° |
| C1 | C8 | C27 | H27 | 41.3° | 37.1° |
| C1 | C8 | C27 | H28 | 81.4° | 85.2° |
| N1 | C2 | C3 | C7 | 179.8° | 179.9° |
| N1 | C2 | C3 | C4 | 179.3° | 179.9° |
| N1 | C2 | C3 | C8 | 0.8° | 0.4° |
| N1 | C2 | C7 | C6 | 179.4° | 180.0° |
| N1 | C2 | C7 | H5 | 0.6° | 0.1° |
| C2 | C3 | C4 | C8 | 178.2° | 179.5° |
| C2 | C3 | C4 | C5 | 1.0° | 0.1° |
| C3 | C2 | C7 | C6 | 0.8° | 0.1° |
| C2 | C3 | C8 | C9 | 121.5° | 121.5° |
| C2 | C3 | C8 | C27 | 122.0° | 123.0° |
| C3 | C2 | N1 | H1 | 176.9° | 179.9° |
| C2 | C3 | C4 | H2 | 179.0° | 179.9° |
| C3 | C2 | C7 | H5 | 179.2° | 180.0° |
| C7 | C2 | C3 | C4 | 0.9° | 0.1° |
| C7 | C2 | C3 | C8 | 179.4° | 179.5° |
| C2 | C7 | C6 | C5 | 0.9° | 0.0° |
| C2 | C7 | C6 | H5 | 180.0° | 180.0° |
| C7 | C2 | N1 | H1 | 3.0° | 0.2° |
| C2 | C7 | C6 | H4 | 179.1° | 180.0° |
| C3 | C4 | C5 | H2 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.0° |
| C4 | C3 | C8 | C9 | 56.8° | 58.1° |
| C4 | C3 | C8 | C27 | 59.6° | 57.5° |
| C3 | C4 | C5 | H3 | 178.9° | 180.0° |
| C8 | C3 | C4 | C5 | 179.1° | 179.4° |
| C3 | C8 | C9 | C27 | 124.3° | 120.8° |
| C3 | C8 | C9 | C10 | 87.2° | 86.9° |
| C3 | C8 | C27 | N3 | 82.4° | 85.6° |
| C8 | C3 | C4 | H2 | 0.9° | 0.6° |
| C3 | C8 | C9 | H6 | 31.9° | 31.5° |
| C3 | C8 | C9 | H7 | 153.6° | 154.8° |
| C3 | C8 | C27 | H27 | 159.0° | 155.6° |
| C3 | C8 | C27 | H28 | 36.2° | 33.3° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.1° | 0.1° |
| C4 | C5 | C6 | H4 | 178.9° | 179.9° |
| C5 | C6 | C7 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | H2 | 178.9° | 180.0° |
| C5 | C6 | C7 | H5 | 179.1° | 179.9° |
| C7 | C6 | C5 | H3 | 178.9° | 179.9° |
| C8 | C9 | C10 | H6 | 119.2° | 118.4° |
| C8 | C9 | C10 | H7 | 119.1° | 118.3° |
| C8 | C9 | C10 | C11 | 141.4° | 140.4° |
| C8 | C9 | C10 | N3 | 19.3° | 20.9° |
| C9 | C8 | C27 | N3 | 40.3° | 35.3° |
| C8 | C9 | H6 | H7 | 122.5° | 123.3° |
| C8 | C9 | C10 | H8 | 99.2° | 98.7° |
| C9 | C8 | C27 | H27 | 78.3° | 83.5° |
| C9 | C8 | C27 | H28 | 158.9° | 154.2° |
| C27 | C8 | C9 | C10 | 37.0° | 33.9° |
| C8 | C27 | N3 | C10 | 30.2° | 22.7° |
| C8 | C27 | N3 | C12 | 144.1° | 157.4° |
| C8 | C27 | N3 | H27 | 118.6° | 118.8° |
| C8 | C27 | N3 | H28 | 118.7° | 118.9° |
| C27 | C8 | C9 | H6 | 156.2° | 152.3° |
| C27 | C8 | C9 | H7 | 82.1° | 84.4° |
| C8 | C27 | H27 | H28 | 123.9° | 122.4° |
| C9 | C10 | C11 | N3 | 115.8° | 117.9° |
| C9 | C10 | C11 | H8 | 119.3° | 120.9° |
| C9 | C10 | N3 | H8 | 117.8° | 119.4° |
| C9 | C10 | C11 | N2 | 93.1° | 120.0° |
| C9 | C10 | N3 | C12 | 167.4° | 179.1° |
| C9 | C10 | N3 | C27 | 7.1° | 1.0° |
| C10 | C9 | H6 | H7 | 122.4° | 123.3° |
| C9 | C10 | C11 | H29 | 86.9° | 59.9° |
| C11 | C10 | N3 | H8 | 124.5° | 121.1° |
| C10 | C11 | N2 | H29 | 180.0° | 179.9° |
| C11 | C10 | N3 | C12 | 74.9° | 61.4° |
| C11 | C10 | N3 | C27 | 110.6° | 118.5° |
| C11 | C10 | C9 | H6 | 99.4° | 101.2° |
| C11 | C10 | C9 | H7 | 22.3° | 22.1° |
| C10 | C11 | N2 | H30 | 180.0° | 179.9° |
| N3 | C10 | C11 | N2 | 151.1° | 2.1° |
| C10 | N3 | C12 | C27 | 173.7° | 179.9° |
| C10 | N3 | C12 | C13 | 176.1° | 4.3° |
| C10 | N3 | C12 | O3 | 2.1° | 175.7° |
| N3 | C10 | C9 | H6 | 138.4° | 139.2° |
| N3 | C10 | C9 | H7 | 99.9° | 97.4° |
| C10 | N3 | C27 | H27 | 88.4° | 96.1° |
| C10 | N3 | C27 | H28 | 148.8° | 141.6° |
| N3 | C10 | C11 | H29 | 28.8° | 177.8° |
| N2 | C11 | C10 | H8 | 26.2° | 119.1° |
| N3 | C12 | C13 | O3 | 178.2° | 180.0° |
| N3 | C12 | C13 | C14 | 160.4° | 73.3° |
| N3 | C12 | C13 | N4 | 74.3° | 166.7° |
| C12 | N3 | C10 | H8 | 49.6° | 59.6° |
| N3 | C12 | C13 | H9 | 44.5° | 46.7° |
| C12 | N3 | C27 | H27 | 97.3° | 83.8° |
| C12 | N3 | C27 | H28 | 25.5° | 38.5° |
| C27 | N3 | C12 | C13 | 2.4° | 175.8° |
| C27 | N3 | C12 | O3 | 175.8° | 4.2° |
| C27 | N3 | C10 | H8 | 124.9° | 120.4° |
| N3 | C27 | H27 | H28 | 123.9° | 122.3° |
| C12 | C13 | C14 | N4 | 123.1° | 120.0° |
| C12 | C13 | C14 | H9 | 115.9° | 120.0° |
| C12 | C13 | N4 | H9 | 118.4° | 120.0° |
| C12 | C13 | C14 | C15 | 158.2° | 171.2° |
| C12 | C13 | N4 | C18 | 58.9° | 66.6° |
| C12 | C13 | N4 | C26 | 119.0° | 113.7° |
| C12 | C13 | C14 | H10 | 80.3° | 68.8° |
| C12 | C13 | C14 | H11 | 36.6° | 51.2° |
| O3 | C12 | C13 | C14 | 21.4° | 106.7° |
| O3 | C12 | C13 | N4 | 103.9° | 13.3° |
| O3 | C12 | C13 | H9 | 137.3° | 133.3° |
| C14 | C13 | N4 | H9 | 120.6° | 120.0° |
| C13 | C14 | C15 | H10 | 121.5° | 120.0° |
| C13 | C14 | C15 | H11 | 121.6° | 119.9° |
| C13 | C14 | C15 | C16 | 50.8° | 66.9° |
| C13 | C14 | C15 | C17 | 173.2° | 173.1° |
| C14 | C13 | N4 | C18 | 62.1° | 53.3° |
| C14 | C13 | N4 | C26 | 120.0° | 126.4° |
| C13 | C14 | H10 | H11 | 115.0° | 120.0° |
| C13 | C14 | C15 | H12 | 68.8° | 53.1° |
| N4 | C13 | C14 | C15 | 78.7° | 68.9° |
| C13 | N4 | C18 | C26 | 177.7° | 179.7° |
| C13 | N4 | C18 | C19 | 179.1° | 179.9° |
| C13 | N4 | C26 | C25 | 178.7° | 179.8° |
| C13 | N4 | C26 | O2 | 2.3° | 0.0° |
| N4 | C13 | C14 | H10 | 42.8° | 51.1° |
| N4 | C13 | C14 | H11 | 159.7° | 171.2° |
| C13 | N4 | C18 | H19 | 0.8° | 0.0° |
| C14 | C15 | C16 | C17 | 122.4° | 120.0° |
| C14 | C15 | C16 | H12 | 119.6° | 120.0° |
| C14 | C15 | C17 | H12 | 118.0° | 120.0° |
| C15 | C14 | C13 | H9 | 42.3° | 51.2° |
| C15 | C14 | H10 | H11 | 115.0° | 120.1° |
| C14 | C15 | C16 | H13 | 180.0° | 57.7° |
| C14 | C15 | C16 | H14 | 60.0° | 177.6° |
| C14 | C15 | C16 | H15 | 60.0° | 62.3° |
| C14 | C15 | C17 | H16 | 180.0° | 60.0° |
| C14 | C15 | C17 | H17 | 60.0° | 180.0° |
| C14 | C15 | C17 | H18 | 60.0° | 59.9° |
| C16 | C15 | C17 | H12 | 117.9° | 120.0° |
| C16 | C15 | C14 | H10 | 70.7° | 53.1° |
| C16 | C15 | C14 | H11 | 172.4° | 173.2° |
| C15 | C16 | H13 | H14 | 120.0° | 120.0° |
| C15 | C16 | H13 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C16 | C15 | C17 | H16 | 55.9° | 180.0° |
| C16 | C15 | C17 | H17 | 64.1° | 60.0° |
| C16 | C15 | C17 | H18 | 175.9° | 60.0° |
| C17 | C15 | C14 | H10 | 51.7° | 66.9° |
| C17 | C15 | C14 | H11 | 65.2° | 53.2° |
| C17 | C15 | C16 | H13 | 57.6° | 62.3° |
| C17 | C15 | C16 | H14 | 177.6° | 57.7° |
| C17 | C15 | C16 | H15 | 62.4° | 177.7° |
| C15 | C17 | H16 | H17 | 120.0° | 120.0° |
| C15 | C17 | H16 | H18 | 120.0° | 120.0° |
| C15 | C17 | H17 | H18 | 120.0° | 120.0° |
| N4 | C18 | C19 | H19 | 180.0° | 180.0° |
| N4 | C18 | C19 | C20 | 1.2° | 0.0° |
| C18 | N4 | C26 | C25 | 0.9° | 0.5° |
| C18 | N4 | C26 | O2 | 180.0° | 179.7° |
| C18 | N4 | C13 | H9 | 177.3° | 173.4° |
| N4 | C18 | C19 | H20 | 178.8° | 179.9° |
| C26 | N4 | C18 | C19 | 1.4° | 0.3° |
| N4 | C26 | C25 | C20 | 0.2° | 0.5° |
| N4 | C26 | C25 | N6 | 179.4° | 179.9° |
| N4 | C26 | C25 | O2 | 179.0° | 179.8° |
| C26 | N4 | C13 | H9 | 0.5° | 6.3° |
| C26 | N4 | C18 | H19 | 178.6° | 179.7° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C18 | C19 | C20 | N5 | 179.7° | 180.0° |
| C18 | C19 | C20 | C25 | 0.5° | 0.0° |
| C19 | C20 | N5 | C25 | 179.8° | 180.0° |
| C19 | C20 | N5 | C21 | 179.4° | 180.0° |
| C19 | C20 | C25 | N6 | 179.4° | 180.0° |
| C19 | C20 | C25 | C26 | 0.1° | 0.2° |
| C20 | C19 | C18 | H19 | 178.8° | 180.0° |
| C20 | N5 | C21 | C22 | 179.7° | 179.9° |
| C20 | N5 | C21 | N6 | 0.4° | 0.1° |
| N5 | C20 | C25 | N6 | 0.8° | 0.1° |
| N5 | C20 | C25 | C26 | 179.9° | 179.8° |
| N5 | C20 | C19 | H20 | 0.3° | 0.1° |
| C25 | C20 | N5 | C21 | 0.7° | 0.0° |
| C20 | C25 | N6 | C21 | 0.5° | 0.1° |
| C20 | C25 | N6 | C26 | 179.2° | 179.6° |
| C20 | C25 | C26 | O2 | 179.2° | 179.7° |
| C25 | C20 | C19 | H20 | 179.5° | 179.9° |
| C20 | C25 | N6 | H26 | 179.5° | 180.0° |
| N5 | C21 | C22 | N6 | 179.2° | 179.9° |
| N5 | C21 | C22 | C23 | 116.5° | 94.9° |
| N5 | C21 | C22 | C24 | 174.3° | 163.6° |
| N5 | C21 | N6 | C25 | 0.0° | 0.1° |
| N5 | C21 | C22 | H21 | 28.4° | 50.7° |
| N5 | C21 | N6 | H26 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 110.0° | 107.5° |
| C21 | C22 | C23 | H21 | 145.1° | 145.0° |
| C21 | C22 | C24 | H21 | 146.1° | 145.0° |
| C22 | C21 | N6 | C25 | 179.3° | 180.0° |
| C21 | C22 | C23 | H22 | 140.1° | 145.0° |
| C21 | C22 | C23 | H23 | 0.2° | 0.0° |
| C21 | C22 | C24 | H24 | 1.0° | 0.0° |
| C21 | C22 | C24 | H25 | 141.9° | 145.0° |
| C22 | C21 | N6 | H26 | 0.7° | 0.1° |
| N6 | C21 | C22 | C23 | 62.7° | 85.0° |
| N6 | C21 | C22 | C24 | 6.5° | 16.3° |
| C21 | N6 | C25 | H26 | 180.0° | 179.9° |
| C21 | N6 | C25 | C26 | 179.7° | 179.7° |
| N6 | C21 | C22 | H21 | 152.4° | 129.4° |
| C23 | C22 | C24 | H21 | 105.3° | 107.4° |
| C22 | C23 | C24 | H22 | 109.8° | 107.5° |
| C22 | C23 | C24 | H23 | 109.8° | 107.5° |
| C22 | C23 | H22 | H23 | 144.1° | 145.7° |
| C23 | C22 | C24 | H24 | 109.6° | 107.5° |
| C23 | C22 | C24 | H25 | 109.5° | 107.5° |
| C22 | C24 | H24 | H25 | 144.6° | 145.7° |
| C24 | C23 | H22 | H23 | 144.1° | 145.7° |
| C23 | C24 | H24 | H25 | 144.6° | 145.7° |
| N6 | C25 | C26 | O2 | 1.6° | 0.1° |
| C26 | C25 | N6 | H26 | 0.3° | 0.4° |
| H2 | C4 | C5 | H3 | 1.1° | 0.0° |
| H3 | C5 | C6 | H4 | 1.1° | 0.1° |
| H4 | C6 | C7 | H5 | 0.9° | 0.1° |
| H6 | C9 | C10 | H8 | 20.0° | 19.7° |
| H7 | C9 | C10 | H8 | 141.7° | 143.0° |
| H8 | C10 | C11 | H29 | 153.7° | 61.0° |
| H9 | C13 | C14 | H10 | 163.8° | 171.2° |
| H9 | C13 | C14 | H11 | 79.3° | 68.8° |
| H10 | C14 | C15 | H12 | 169.6° | 173.1° |
| H11 | C14 | C15 | H12 | 52.7° | 66.9° |
| H12 | C15 | C16 | H13 | 60.3° | 177.6° |
| H12 | C15 | C16 | H14 | 59.6° | 62.4° |
| H12 | C15 | C16 | H15 | 179.6° | 57.6° |
| H12 | C15 | C17 | H16 | 62.0° | 60.0° |
| H12 | C15 | C17 | H17 | 178.0° | 60.0° |
| H12 | C15 | C17 | H18 | 58.0° | 179.9° |
| H13 | C16 | H14 | H15 | 120.0° | 119.9° |
| H16 | C17 | H17 | H18 | 120.0° | 120.0° |
| H19 | C18 | C19 | H20 | 1.2° | 0.1° |
| H21 | C22 | C23 | H22 | 4.9° | 0.0° |
| H21 | C22 | C23 | H23 | 145.3° | 145.0° |
| H21 | C22 | C24 | H24 | 145.1° | 145.1° |
| H21 | C22 | C24 | H25 | 4.2° | 0.0° |
| H22 | C23 | C24 | H24 | 140.7° | 145.0° |
| H22 | C23 | C24 | H25 | 0.3° | 0.0° |
| H23 | C23 | C24 | H24 | 0.3° | 0.0° |
| H23 | C23 | C24 | H25 | 140.7° | 145.0° |
| H29 | C11 | N2 | H30 | 0.1° | 0.0° |
