G4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | sing | 1.55Å | 1.52Å | |
| C23 | C22 | sing | 1.55Å | 1.50Å | |
| C24 | C25 | sing | 1.54Å | 1.53Å | |
| C22 | N5 | sing | 1.48Å | 1.46Å | |
| C25 | N5 | sing | 1.48Å | 1.46Å | |
| N5 | C21 | sing | 1.47Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C19 | O3 | sing | 1.43Å | 1.44Å | |
| O3 | C18 | sing | 1.36Å | 1.36Å | |
| O2 | C17 | sing | 1.43Å | 1.42Å | |
| O2 | C16 | sing | 1.36Å | 1.36Å | |
| C18 | C16 | sing | 1.40Å | 1.44Å | Aromatic |
| C18 | C26 | doub | 1.38Å | 1.36Å | Aromatic |
| C16 | C15 | doub | 1.37Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C27 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C27 | N6 | doub | 1.34Å | 1.37Å | Aromatic |
| C14 | C5 | doub | 1.42Å | 1.44Å | Aromatic |
| N6 | C4 | sing | 1.32Å | 1.34Å | Aromatic |
| O1 | C3 | doub | 1.22Å | 1.24Å | |
| C5 | N3 | sing | 1.38Å | 1.38Å | |
| C5 | N2 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N2 | doub | 1.33Å | 1.35Å | Aromatic |
| C4 | N1 | sing | 1.39Å | 1.36Å | |
| N3 | C6 | sing | 1.46Å | 1.46Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | sing | 1.47Å | 1.48Å | |
| C6 | C13 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | doub | 1.33Å | 1.30Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C12 | N4 | sing | 1.47Å | 1.47Å | |
| C8 | N4 | sing | 1.47Å | 1.47Å | |
| N4 | C9 | sing | 1.47Å | 1.48Å | |
| C10 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C11 | sing | 1.53Å | 1.52Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C22 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.08Å | 1.08Å | |
| C6 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C8 | H36 | sing | 1.09Å | 1.10Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| N1 | H39 | sing | 0.97Å | 1.00Å | |
| N3 | H40 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 101.7° | 102.9° |
| C23 | C24 | C25 | 104.4° | 105.1° |
| C24 | C23 | H26 | 111.4° | 110.7° |
| C24 | C23 | H27 | 111.4° | 110.8° |
| C23 | C24 | H28 | 110.7° | 110.3° |
| C23 | C24 | H29 | 110.7° | 110.3° |
| C23 | C22 | N5 | 101.9° | 103.2° |
| C23 | C22 | H24 | 111.3° | 110.7° |
| C23 | C22 | H25 | 111.3° | 110.8° |
| C22 | C23 | H26 | 111.4° | 110.7° |
| C22 | C23 | H27 | 111.3° | 110.7° |
| C24 | C25 | N5 | 105.7° | 107.1° |
| C25 | C24 | H28 | 110.7° | 110.3° |
| C25 | C24 | H29 | 110.7° | 110.3° |
| C24 | C25 | H30 | 110.4° | 109.9° |
| C24 | C25 | H31 | 110.4° | 109.9° |
| C22 | N5 | C25 | 104.5° | 105.8° |
| C22 | N5 | C21 | 115.2° | 111.0° |
| N5 | C22 | H24 | 111.3° | 110.7° |
| N5 | C22 | H25 | 111.3° | 110.7° |
| C25 | N5 | C21 | 116.0° | 111.0° |
| N5 | C25 | H30 | 110.4° | 109.9° |
| N5 | C25 | H31 | 110.4° | 109.9° |
| N5 | C21 | C20 | 114.5° | 109.5° |
| N5 | C21 | H22 | 108.2° | 109.5° |
| N5 | C21 | H23 | 108.2° | 109.5° |
| C21 | C20 | C19 | 111.7° | 109.5° |
| C21 | C20 | H20 | 108.9° | 109.5° |
| C21 | C20 | H21 | 108.9° | 109.4° |
| C20 | C21 | H22 | 108.2° | 109.5° |
| C20 | C21 | H23 | 108.2° | 109.4° |
| C20 | C19 | O3 | 109.6° | 109.5° |
| C20 | C19 | H17 | 109.4° | 109.5° |
| C20 | C19 | H18 | 109.4° | 109.5° |
| C19 | C20 | H20 | 108.9° | 109.5° |
| C19 | C20 | H21 | 108.9° | 109.5° |
| C19 | O3 | C18 | 116.5° | 117.0° |
| O3 | C19 | H17 | 109.4° | 109.4° |
| O3 | C19 | H18 | 109.4° | 109.5° |
| O3 | C18 | C16 | 115.1° | 119.6° |
| O3 | C18 | C26 | 124.8° | 119.7° |
| C17 | O2 | C16 | 116.8° | 117.0° |
| O2 | C17 | H14 | 109.5° | 109.4° |
| O2 | C17 | H15 | 109.4° | 109.5° |
| O2 | C17 | H16 | 109.5° | 109.5° |
| O2 | C16 | C18 | 115.4° | 119.6° |
| O2 | C16 | C15 | 124.5° | 119.6° |
| C16 | C18 | C26 | 120.2° | 120.7° |
| C18 | C16 | C15 | 120.1° | 120.8° |
| C18 | C26 | C27 | 120.4° | 119.5° |
| C18 | C26 | H32 | 119.8° | 120.2° |
| C16 | C15 | C14 | 120.5° | 119.7° |
| C16 | C15 | H13 | 119.8° | 120.2° |
| C26 | C27 | C14 | 119.9° | 119.5° |
| C26 | C27 | N6 | 119.0° | 121.8° |
| C27 | C26 | H32 | 119.8° | 120.2° |
| C15 | C14 | C27 | 118.9° | 119.9° |
| C15 | C14 | C5 | 124.6° | 121.9° |
| C14 | C15 | H13 | 119.8° | 120.1° |
| C14 | C27 | N6 | 121.1° | 118.8° |
| C27 | C14 | C5 | 116.5° | 118.2° |
| C27 | N6 | C4 | 117.6° | 120.4° |
| C14 | C5 | N3 | 119.5° | 120.8° |
| C14 | C5 | N2 | 120.8° | 118.4° |
| N6 | C4 | N2 | 125.4° | 122.8° |
| N6 | C4 | N1 | 116.1° | 118.6° |
| O1 | C3 | N1 | 124.5° | 120.0° |
| O1 | C3 | C2 | 121.7° | 120.0° |
| N3 | C5 | N2 | 119.7° | 120.8° |
| C5 | N3 | C6 | 124.0° | 120.0° |
| C5 | N3 | H40 | 105.7° | 120.0° |
| C5 | N2 | C4 | 118.6° | 121.4° |
| N2 | C4 | N1 | 118.5° | 118.6° |
| C4 | N1 | C3 | 126.9° | 120.0° |
| C4 | N1 | H39 | 116.6° | 120.0° |
| N3 | C6 | C13 | 109.6° | 109.5° |
| N3 | C6 | C7 | 109.2° | 109.5° |
| N3 | C6 | H33 | 109.7° | 109.6° |
| C6 | N3 | H40 | 105.7° | 120.0° |
| N1 | C3 | C2 | 113.7° | 120.0° |
| C3 | N1 | H39 | 116.6° | 120.0° |
| C3 | C2 | C1 | 121.1° | 120.0° |
| C3 | C2 | H19 | 119.4° | 120.0° |
| C13 | C6 | C7 | 110.4° | 109.1° |
| C6 | C13 | C12 | 110.4° | 109.3° |
| C6 | C13 | H11 | 109.2° | 109.5° |
| C6 | C13 | H12 | 109.2° | 109.5° |
| C13 | C6 | H33 | 109.0° | 109.5° |
| C6 | C7 | C8 | 111.3° | 109.3° |
| C7 | C6 | H33 | 109.0° | 109.5° |
| C6 | C7 | H34 | 109.0° | 109.5° |
| C6 | C7 | H35 | 109.0° | 109.5° |
| C13 | C12 | N4 | 110.0° | 109.5° |
| C13 | C12 | H9 | 109.4° | 109.5° |
| C13 | C12 | H10 | 109.4° | 109.5° |
| C12 | C13 | H11 | 109.2° | 109.5° |
| C12 | C13 | H12 | 109.2° | 109.5° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | 120.0° | 120.0° |
| C1 | C2 | H19 | 119.5° | 120.0° |
| C7 | C8 | N4 | 112.1° | 109.5° |
| C8 | C7 | H34 | 109.0° | 109.5° |
| C8 | C7 | H35 | 109.0° | 109.5° |
| C7 | C8 | H36 | 108.8° | 109.5° |
| C7 | C8 | H37 | 108.8° | 109.4° |
| C12 | N4 | C8 | 109.8° | 111.2° |
| C12 | N4 | C9 | 115.6° | 111.0° |
| N4 | C12 | H9 | 109.3° | 109.4° |
| N4 | C12 | H10 | 109.3° | 109.4° |
| C8 | N4 | C9 | 110.7° | 111.0° |
| N4 | C8 | H36 | 108.8° | 109.5° |
| N4 | C8 | H37 | 108.8° | 109.5° |
| N4 | C9 | C10 | 113.0° | 109.4° |
| N4 | C9 | C11 | 111.1° | 109.5° |
| N4 | C9 | H38 | 106.9° | 109.5° |
| C10 | C9 | C11 | 112.5° | 109.4° |
| C9 | C10 | H3 | 109.5° | 109.5° |
| C9 | C10 | H4 | 109.4° | 109.4° |
| C9 | C10 | H5 | 109.5° | 109.5° |
| C10 | C9 | H38 | 106.5° | 109.5° |
| C9 | C11 | H6 | 109.5° | 109.5° |
| C9 | C11 | H7 | 109.4° | 109.4° |
| C9 | C11 | H8 | 109.5° | 109.5° |
| C11 | C9 | H38 | 106.5° | 109.5° |
| H1 | C1 | H2 | 120.0° | 120.0° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H3 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H6 | C11 | H8 | 109.5° | 109.5° |
| H7 | C11 | H8 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.4° | 109.5° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H14 | C17 | H15 | 109.4° | 109.4° |
| H14 | C17 | H16 | 109.5° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.4° |
| H20 | C20 | H21 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H24 | C22 | H25 | 109.4° | 110.6° |
| H26 | C23 | H27 | 109.5° | 110.8° |
| H28 | C24 | H29 | 109.5° | 110.4° |
| H30 | C25 | H31 | 109.5° | 110.0° |
| H34 | C7 | H35 | 109.4° | 109.5° |
| H36 | C8 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H26 | 118.8° | 118.3° |
| C24 | C23 | C22 | H27 | 118.7° | 118.4° |
| C23 | C24 | C25 | H28 | 119.2° | 118.9° |
| C23 | C24 | C25 | H29 | 119.2° | 118.9° |
| C24 | C23 | C22 | N5 | 44.2° | 37.4° |
| C23 | C24 | C25 | N5 | 0.1° | 1.2° |
| C24 | C23 | C22 | H24 | 74.6° | 81.0° |
| C24 | C23 | C22 | H25 | 163.0° | 155.9° |
| C24 | C23 | H26 | H27 | 123.6° | 123.3° |
| C23 | C24 | H28 | H29 | 122.4° | 122.2° |
| C23 | C24 | C25 | H30 | 119.3° | 120.6° |
| C23 | C24 | C25 | H31 | 119.5° | 118.2° |
| C22 | C23 | C24 | C25 | 26.8° | 21.9° |
| C23 | C22 | N5 | H24 | 118.8° | 118.4° |
| C23 | C22 | N5 | H25 | 118.8° | 118.6° |
| C23 | C22 | N5 | C25 | 45.3° | 39.2° |
| C23 | C22 | N5 | C21 | 173.7° | 159.7° |
| C23 | C22 | H24 | H25 | 123.5° | 123.1° |
| C22 | C23 | H26 | H27 | 123.6° | 123.2° |
| C22 | C23 | C24 | H28 | 146.0° | 140.8° |
| C22 | C23 | C24 | H29 | 92.4° | 96.9° |
| C24 | C25 | N5 | C22 | 27.9° | 25.3° |
| C24 | C25 | N5 | H30 | 119.4° | 119.3° |
| C24 | C25 | N5 | H31 | 119.4° | 119.4° |
| C24 | C25 | N5 | C21 | 155.8° | 145.9° |
| C25 | C24 | C23 | H26 | 145.5° | 96.4° |
| C25 | C24 | C23 | H27 | 91.9° | 140.3° |
| C25 | C24 | H28 | H29 | 122.3° | 122.2° |
| C24 | C25 | H30 | H31 | 121.7° | 121.2° |
| C22 | N5 | C25 | C21 | 127.9° | 120.5° |
| C22 | N5 | C21 | C20 | 135.6° | 170.0° |
| C22 | N5 | C21 | H22 | 14.9° | 50.0° |
| C22 | N5 | C21 | H23 | 103.6° | 70.0° |
| N5 | C22 | H24 | H25 | 123.5° | 123.0° |
| N5 | C22 | C23 | H26 | 163.0° | 80.9° |
| N5 | C22 | C23 | H27 | 74.5° | 155.8° |
| C22 | N5 | C25 | H30 | 147.3° | 144.7° |
| C22 | N5 | C25 | H31 | 91.5° | 94.1° |
| C25 | N5 | C21 | C20 | 13.2° | 72.6° |
| C25 | N5 | C21 | H22 | 107.6° | 167.4° |
| C25 | N5 | C21 | H23 | 133.9° | 47.3° |
| C25 | N5 | C22 | H24 | 73.5° | 79.2° |
| C25 | N5 | C22 | H25 | 164.1° | 157.8° |
| N5 | C25 | C24 | H28 | 119.3° | 117.6° |
| N5 | C25 | C24 | H29 | 119.1° | 120.1° |
| N5 | C25 | H30 | H31 | 121.8° | 121.2° |
| N5 | C21 | C20 | H22 | 120.7° | 120.0° |
| N5 | C21 | C20 | H23 | 120.8° | 120.0° |
| N5 | C21 | C20 | C19 | 121.9° | 180.0° |
| N5 | C21 | C20 | H20 | 117.8° | 60.0° |
| N5 | C21 | C20 | H21 | 1.6° | 60.0° |
| N5 | C21 | H22 | H23 | 117.7° | 120.0° |
| C21 | N5 | C22 | H24 | 54.9° | 41.3° |
| C21 | N5 | C22 | H25 | 67.5° | 81.7° |
| C21 | N5 | C25 | H30 | 84.8° | 94.8° |
| C21 | N5 | C25 | H31 | 36.4° | 26.5° |
| C21 | C20 | C19 | H20 | 120.3° | 120.0° |
| C21 | C20 | C19 | H21 | 120.3° | 119.9° |
| C21 | C20 | C19 | O3 | 46.3° | 180.0° |
| C21 | C20 | C19 | H17 | 166.3° | 60.0° |
| C21 | C20 | C19 | H18 | 73.7° | 60.0° |
| C21 | C20 | H20 | H21 | 119.0° | 120.0° |
| C20 | C21 | H22 | H23 | 117.7° | 120.0° |
| C20 | C19 | O3 | H17 | 120.0° | 120.0° |
| C20 | C19 | O3 | H18 | 120.0° | 120.1° |
| C20 | C19 | O3 | C18 | 170.0° | 180.0° |
| C20 | C19 | H17 | H18 | 119.9° | 120.0° |
| C19 | C20 | H20 | H21 | 119.0° | 120.0° |
| C19 | C20 | C21 | H22 | 1.2° | 60.0° |
| C19 | C20 | C21 | H23 | 117.3° | 60.1° |
| C19 | O3 | C18 | C16 | 166.0° | 180.0° |
| C19 | O3 | C18 | C26 | 13.9° | 0.0° |
| O3 | C19 | H17 | H18 | 120.0° | 120.0° |
| O3 | C19 | C20 | H20 | 74.1° | 60.0° |
| O3 | C19 | C20 | H21 | 166.6° | 60.1° |
| O3 | C18 | C16 | O2 | 0.4° | 0.1° |
| O3 | C18 | C16 | C26 | 179.9° | 179.9° |
| O3 | C18 | C16 | C15 | 179.4° | 179.9° |
| O3 | C18 | C26 | C27 | 179.3° | 179.7° |
| C18 | O3 | C19 | H17 | 70.0° | 60.0° |
| C18 | O3 | C19 | H18 | 50.0° | 60.0° |
| O3 | C18 | C26 | H32 | 0.7° | 0.1° |
| C17 | O2 | C16 | C18 | 178.3° | 180.0° |
| C17 | O2 | C16 | C15 | 1.5° | 0.1° |
| O2 | C17 | H14 | H15 | 120.0° | 120.0° |
| O2 | C17 | H14 | H16 | 120.0° | 120.0° |
| O2 | C17 | H15 | H16 | 120.0° | 120.1° |
| O2 | C16 | C18 | C15 | 179.8° | 179.9° |
| O2 | C16 | C18 | C26 | 179.6° | 180.0° |
| O2 | C16 | C15 | C14 | 179.8° | 180.0° |
| O2 | C16 | C15 | H13 | 0.2° | 0.0° |
| C16 | O2 | C17 | H14 | 180.0° | 60.1° |
| C16 | O2 | C17 | H15 | 60.0° | 59.9° |
| C16 | O2 | C17 | H16 | 60.0° | 180.0° |
| C16 | C18 | C26 | C27 | 0.7° | 0.4° |
| C18 | C16 | C15 | C14 | 0.4° | 0.1° |
| C18 | C16 | C15 | H13 | 179.5° | 179.9° |
| C16 | C18 | C26 | H32 | 179.3° | 179.9° |
| C26 | C18 | C16 | C15 | 0.6° | 0.1° |
| C18 | C26 | C27 | H32 | 180.0° | 179.6° |
| C18 | C26 | C27 | C14 | 0.7° | 0.6° |
| C18 | C26 | C27 | N6 | 179.7° | 179.9° |
| C16 | C15 | C14 | H13 | 180.0° | 180.0° |
| C16 | C15 | C14 | C27 | 0.4° | 0.3° |
| C16 | C15 | C14 | C5 | 179.8° | 180.0° |
| C26 | C27 | C14 | C15 | 0.6° | 0.5° |
| C26 | C27 | C14 | N6 | 179.6° | 179.5° |
| C26 | C27 | C14 | C5 | 180.0° | 179.7° |
| C26 | C27 | N6 | C4 | 179.9° | 179.4° |
| C15 | C14 | C27 | C5 | 179.4° | 179.7° |
| C15 | C14 | C27 | N6 | 179.8° | 179.9° |
| C15 | C14 | C5 | N3 | 1.2° | 0.0° |
| C15 | C14 | C5 | N2 | 179.9° | 179.9° |
| C14 | C27 | N6 | C4 | 0.5° | 0.1° |
| C27 | C14 | C5 | N3 | 179.4° | 179.7° |
| C27 | C14 | C5 | N2 | 0.7° | 0.2° |
| C27 | C14 | C15 | H13 | 179.5° | 179.7° |
| C14 | C27 | C26 | H32 | 179.3° | 179.9° |
| N6 | C27 | C14 | C5 | 0.4° | 0.2° |
| C27 | N6 | C4 | N2 | 1.0° | 0.4° |
| C27 | N6 | C4 | N1 | 179.3° | 180.0° |
| N6 | C27 | C26 | H32 | 0.3° | 0.3° |
| C14 | C5 | N3 | N2 | 178.6° | 179.9° |
| C14 | C5 | N2 | C4 | 1.2° | 0.1° |
| C14 | C5 | N3 | C6 | 164.3° | 180.0° |
| C5 | C14 | C15 | H13 | 0.2° | 0.0° |
| C14 | C5 | N3 | H40 | 73.7° | 0.1° |
| N6 | C4 | N2 | C5 | 1.4° | 0.4° |
| N6 | C4 | N2 | N1 | 178.3° | 179.6° |
| N6 | C4 | N1 | C3 | 9.1° | 0.3° |
| N6 | C4 | N1 | H39 | 170.9° | 179.7° |
| O1 | C3 | N1 | C4 | 28.9° | 0.0° |
| O1 | C3 | N1 | C2 | 176.8° | 180.0° |
| O1 | C3 | C2 | C1 | 25.5° | 0.0° |
| O1 | C3 | C2 | H19 | 154.5° | 180.0° |
| O1 | C3 | N1 | H39 | 151.2° | 180.0° |
| N3 | C5 | N2 | C4 | 179.8° | 180.0° |
| C5 | N3 | C6 | H40 | 122.0° | 179.9° |
| C5 | N3 | C6 | C13 | 130.3° | 155.0° |
| C5 | N3 | C6 | C7 | 108.7° | 85.4° |
| C5 | N3 | C6 | H33 | 10.7° | 34.8° |
| C5 | N2 | C4 | N1 | 179.7° | 180.0° |
| N2 | C5 | N3 | C6 | 14.4° | 0.1° |
| N2 | C5 | N3 | H40 | 107.6° | 180.0° |
| N2 | C4 | N1 | C3 | 169.3° | 180.0° |
| N2 | C4 | N1 | H39 | 10.7° | 0.0° |
| C4 | N1 | C3 | H39 | 180.0° | 180.0° |
| C4 | N1 | C3 | C2 | 148.0° | 180.0° |
| N3 | C6 | C13 | C7 | 120.3° | 119.8° |
| N3 | C6 | C13 | H33 | 120.0° | 120.3° |
| N3 | C6 | C7 | H33 | 119.8° | 120.2° |
| N3 | C6 | C13 | C12 | 137.0° | 62.2° |
| N3 | C6 | C7 | C8 | 179.5° | 62.2° |
| N3 | C6 | C13 | H11 | 102.8° | 57.7° |
| N3 | C6 | C13 | H12 | 16.9° | 177.8° |
| N3 | C6 | C7 | H34 | 60.3° | 57.7° |
| N3 | C6 | C7 | H35 | 59.2° | 177.8° |
| N1 | C3 | C2 | C1 | 151.4° | 180.0° |
| N1 | C3 | C2 | H19 | 28.6° | 0.1° |
| C3 | C2 | C1 | H19 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 0.0° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 179.7° |
| C2 | C3 | N1 | H39 | 32.0° | 0.0° |
| C13 | C6 | C7 | H33 | 119.6° | 119.9° |
| C6 | C13 | C12 | H11 | 120.1° | 120.0° |
| C6 | C13 | C12 | H12 | 120.1° | 120.0° |
| C13 | C6 | C7 | C8 | 60.0° | 57.6° |
| C6 | C13 | C12 | N4 | 46.1° | 59.2° |
| C6 | C13 | C12 | H9 | 166.2° | 179.2° |
| C6 | C13 | C12 | H10 | 74.0° | 60.8° |
| C6 | C13 | H11 | H12 | 119.6° | 120.1° |
| C13 | C6 | C7 | H34 | 60.3° | 177.6° |
| C13 | C6 | C7 | H35 | 179.7° | 62.3° |
| C13 | C6 | N3 | H40 | 8.4° | 24.9° |
| C7 | C6 | C13 | C12 | 16.7° | 57.7° |
| C6 | C7 | C8 | H34 | 120.3° | 119.9° |
| C6 | C7 | C8 | H35 | 120.3° | 120.0° |
| C6 | C7 | C8 | N4 | 37.9° | 59.2° |
| C7 | C6 | C13 | H11 | 136.9° | 177.6° |
| C7 | C6 | C13 | H12 | 103.4° | 62.3° |
| C6 | C7 | H34 | H35 | 119.2° | 120.1° |
| C6 | C7 | C8 | H36 | 158.3° | 60.9° |
| C6 | C7 | C8 | H37 | 82.5° | 179.2° |
| C7 | C6 | N3 | H40 | 129.4° | 94.7° |
| C13 | C12 | N4 | H9 | 120.1° | 120.0° |
| C13 | C12 | N4 | H10 | 120.1° | 120.0° |
| C13 | C12 | N4 | C8 | 70.0° | 61.7° |
| C13 | C12 | N4 | C9 | 163.9° | 174.2° |
| C13 | C12 | H9 | H10 | 119.8° | 120.0° |
| C12 | C13 | H11 | H12 | 119.6° | 120.0° |
| C12 | C13 | C6 | H33 | 102.9° | 177.5° |
| C2 | C1 | H1 | H2 | 180.0° | 179.7° |
| C7 | C8 | N4 | C12 | 25.0° | 61.8° |
| C7 | C8 | N4 | H36 | 120.4° | 120.0° |
| C7 | C8 | N4 | H37 | 120.4° | 120.0° |
| C7 | C8 | N4 | C9 | 153.8° | 174.2° |
| C8 | C7 | C6 | H33 | 59.7° | 177.5° |
| C8 | C7 | H34 | H35 | 119.1° | 120.1° |
| C7 | C8 | H36 | H37 | 118.8° | 119.9° |
| C12 | N4 | C8 | C9 | 128.8° | 124.1° |
| C12 | N4 | C9 | C10 | 4.6° | 180.0° |
| C12 | N4 | C9 | C11 | 132.1° | 60.1° |
| N4 | C12 | H9 | H10 | 119.7° | 120.0° |
| N4 | C12 | C13 | H11 | 74.0° | 179.2° |
| N4 | C12 | C13 | H12 | 166.3° | 60.8° |
| C12 | N4 | C8 | H36 | 95.5° | 58.3° |
| C12 | N4 | C8 | H37 | 145.3° | 178.2° |
| C12 | N4 | C9 | H38 | 112.1° | 60.0° |
| C8 | N4 | C9 | C10 | 130.3° | 55.8° |
| C8 | N4 | C9 | C11 | 102.3° | 175.8° |
| C8 | N4 | C12 | H9 | 169.9° | 178.3° |
| C8 | N4 | C12 | H10 | 50.1° | 58.3° |
| N4 | C8 | C7 | H34 | 82.4° | 179.1° |
| N4 | C8 | C7 | H35 | 158.2° | 60.8° |
| N4 | C8 | H36 | H37 | 118.8° | 120.0° |
| C8 | N4 | C9 | H38 | 13.5° | 64.2° |
| N4 | C9 | C10 | C11 | 126.7° | 120.0° |
| N4 | C9 | C10 | H38 | 117.0° | 120.0° |
| N4 | C9 | C11 | H38 | 116.0° | 120.1° |
| N4 | C9 | C10 | H3 | 180.0° | 180.0° |
| N4 | C9 | C10 | H4 | 60.0° | 60.0° |
| N4 | C9 | C10 | H5 | 60.0° | 60.0° |
| N4 | C9 | C11 | H6 | 180.0° | 59.9° |
| N4 | C9 | C11 | H7 | 60.0° | 60.0° |
| N4 | C9 | C11 | H8 | 60.0° | 180.0° |
| C9 | N4 | C12 | H9 | 43.8° | 54.2° |
| C9 | N4 | C12 | H10 | 76.0° | 65.8° |
| C9 | N4 | C8 | H36 | 33.4° | 65.8° |
| C9 | N4 | C8 | H37 | 85.8° | 54.2° |
| C10 | C9 | C11 | H38 | 116.2° | 120.0° |
| C9 | C10 | H3 | H4 | 120.0° | 120.0° |
| C9 | C10 | H3 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H5 | 120.0° | 120.0° |
| C10 | C9 | C11 | H6 | 52.3° | 60.0° |
| C10 | C9 | C11 | H7 | 172.3° | 180.0° |
| C10 | C9 | C11 | H8 | 67.7° | 60.1° |
| C11 | C9 | C10 | H3 | 53.3° | 60.0° |
| C11 | C9 | C10 | H4 | 66.7° | 180.0° |
| C11 | C9 | C10 | H5 | 173.3° | 60.0° |
| C9 | C11 | H6 | H7 | 120.0° | 119.9° |
| C9 | C11 | H6 | H8 | 120.0° | 120.1° |
| C9 | C11 | H7 | H8 | 120.0° | 120.0° |
| H1 | C1 | C2 | H19 | 180.0° | 179.9° |
| H2 | C1 | C2 | H19 | 0.0° | 0.3° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H3 | C10 | C9 | H38 | 63.0° | 60.0° |
| H4 | C10 | C9 | H38 | 177.0° | 60.0° |
| H5 | C10 | C9 | H38 | 57.0° | 180.0° |
| H6 | C11 | H7 | H8 | 120.0° | 120.0° |
| H6 | C11 | C9 | H38 | 64.0° | NaN° |
| H7 | C11 | C9 | H38 | 56.0° | 60.0° |
| H8 | C11 | C9 | H38 | 176.0° | 59.9° |
| H9 | C12 | C13 | H11 | 46.0° | 60.9° |
| H9 | C12 | C13 | H12 | 73.7° | 59.2° |
| H10 | C12 | C13 | H11 | 165.9° | 59.2° |
| H10 | C12 | C13 | H12 | 46.2° | 179.2° |
| H11 | C13 | C6 | H33 | 17.2° | 62.5° |
| H12 | C13 | C6 | H33 | 136.9° | 57.6° |
| H14 | C17 | H15 | H16 | 120.0° | 120.0° |
| H17 | C19 | C20 | H20 | 46.0° | 60.0° |
| H17 | C19 | C20 | H21 | 73.4° | 180.0° |
| H18 | C19 | C20 | H20 | 165.9° | 180.0° |
| H18 | C19 | C20 | H21 | 46.6° | 60.0° |
| H20 | C20 | C21 | H22 | 121.5° | 180.0° |
| H20 | C20 | C21 | H23 | 3.0° | 60.0° |
| H21 | C20 | C21 | H22 | 119.2° | 60.0° |
| H21 | C20 | C21 | H23 | 122.3° | 180.0° |
| H24 | C22 | C23 | H26 | 44.2° | 160.6° |
| H24 | C22 | C23 | H27 | 166.7° | 37.4° |
| H25 | C22 | C23 | H26 | 78.3° | 37.6° |
| H25 | C22 | C23 | H27 | 44.2° | 85.6° |
| H26 | C23 | C24 | H28 | 95.3° | 22.5° |
| H26 | C23 | C24 | H29 | 26.3° | 144.7° |
| H27 | C23 | C24 | H28 | 27.3° | 100.8° |
| H27 | C23 | C24 | H29 | 148.9° | 21.4° |
| H28 | C24 | C25 | H30 | 0.1° | 1.7° |
| H28 | C24 | C25 | H31 | 121.3° | 122.9° |
| H29 | C24 | C25 | H30 | 121.5° | 120.5° |
| H29 | C24 | C25 | H31 | 0.3° | 0.7° |
| H33 | C6 | C7 | H34 | 179.9° | 62.5° |
| H33 | C6 | C7 | H35 | 60.6° | 57.6° |
| H33 | C6 | N3 | H40 | 111.2° | 145.1° |
| H34 | C7 | C8 | H36 | 38.0° | 59.1° |
| H34 | C7 | C8 | H37 | 157.3° | 60.8° |
| H35 | C7 | C8 | H36 | 81.4° | 179.2° |
| H35 | C7 | C8 | H37 | 37.9° | 59.3° |
