6PX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C22 | sing | 1.36Å | 1.37Å | |
| O1 | C2 | doub | 1.21Å | 1.22Å | |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| C22 | C21 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C20 | sing | 1.39Å | 1.36Å | Aromatic |
| C21 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C2 | N5 | sing | 1.35Å | 1.33Å | |
| C1 | C3 | sing | 1.53Å | 1.56Å | |
| O2 | C7 | doub | 1.22Å | 1.25Å | |
| N5 | C8 | sing | 1.40Å | 1.42Å | |
| C20 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C19 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C11 | sing | 1.48Å | 1.49Å | |
| C7 | N7 | sing | 1.35Å | 1.49Å | |
| C11 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.56Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C9 | N6 | sing | 1.39Å | 1.40Å | |
| C9 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| N7 | C14 | sing | 1.47Å | 1.49Å | |
| C5 | N2 | sing | 1.46Å | 1.48Å | |
| C16 | C14 | sing | 1.53Å | 1.55Å | |
| N2 | C6 | sing | 1.38Å | 1.34Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| N3 | C6 | doub | 1.30Å | 1.33Å | |
| C6 | N4 | sing | 1.37Å | 1.33Å | |
| C15 | O3 | doub | 1.21Å | 1.24Å | |
| C15 | O5 | sing | 1.34Å | 1.40Å | |
| O5 | C23 | sing | 1.45Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 1.01Å | 1.00Å | |
| N1 | H12 | sing | 1.01Å | 1.00Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| N3 | H19 | sing | 0.97Å | 1.00Å | |
| N4 | H20 | sing | 0.97Å | 1.00Å | |
| N4 | H21 | sing | 0.97Å | 1.00Å | |
| N5 | H22 | sing | 0.97Å | 1.00Å | |
| N6 | H23 | sing | 0.97Å | 1.00Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| C12 | H25 | sing | 1.08Å | 1.08Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.08Å | 1.08Å | |
| C20 | H31 | sing | 1.08Å | 1.08Å | |
| O4 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C22 | C21 | 121.4° | 120.1° |
| O4 | C22 | C20 | 117.4° | 120.0° |
| C22 | O4 | H32 | 109.5° | 113.9° |
| O1 | C2 | C1 | 121.0° | 120.0° |
| O1 | C2 | N5 | 121.0° | 120.0° |
| N1 | C1 | C2 | 110.3° | 109.5° |
| N1 | C1 | C3 | 111.9° | 109.5° |
| N1 | C1 | H1 | 108.8° | 109.5° |
| C1 | N1 | H11 | 109.5° | 111.0° |
| C1 | N1 | H12 | 109.4° | 111.0° |
| C21 | C22 | C20 | 121.2° | 119.9° |
| C22 | C21 | C19 | 119.6° | 120.0° |
| C22 | C21 | H7 | 120.2° | 120.0° |
| C22 | C20 | C18 | 119.1° | 119.9° |
| C22 | C20 | H31 | 120.5° | 120.1° |
| C21 | C19 | C17 | 120.6° | 120.1° |
| C21 | C19 | H6 | 119.7° | 120.0° |
| C19 | C21 | H7 | 120.2° | 120.0° |
| C1 | C2 | N5 | 115.9° | 120.0° |
| C2 | C1 | C3 | 110.2° | 109.5° |
| C2 | C1 | H1 | 107.9° | 109.5° |
| C2 | N5 | C8 | 150.6° | 120.0° |
| C2 | N5 | H22 | 104.7° | 119.9° |
| C1 | C3 | C4 | 117.7° | 109.5° |
| C3 | C1 | H1 | 107.7° | 109.4° |
| C1 | C3 | H14 | 107.4° | 109.5° |
| C1 | C3 | H15 | 107.4° | 109.5° |
| O2 | C7 | C11 | 122.5° | 120.0° |
| O2 | C7 | N7 | 128.2° | 120.0° |
| N5 | C8 | C13 | 118.1° | 120.0° |
| N5 | C8 | C9 | 123.0° | 120.0° |
| C8 | N5 | H22 | 104.7° | 120.1° |
| C20 | C18 | C17 | 121.5° | 120.0° |
| C20 | C18 | H30 | 119.3° | 120.0° |
| C18 | C20 | H31 | 120.4° | 120.0° |
| C8 | C13 | C11 | 121.3° | 119.8° |
| C13 | C8 | C9 | 118.9° | 119.9° |
| C8 | C13 | H5 | 119.3° | 120.1° |
| C13 | C11 | C7 | 122.3° | 120.0° |
| C13 | C11 | C10 | 119.5° | 119.9° |
| C11 | C13 | H5 | 119.4° | 120.1° |
| C19 | C17 | C18 | 118.0° | 120.1° |
| C19 | C17 | C16 | 121.2° | 120.0° |
| C17 | C19 | H6 | 119.7° | 119.9° |
| C8 | C9 | N6 | 120.8° | 120.0° |
| C8 | C9 | C12 | 120.1° | 120.1° |
| C11 | C7 | N7 | 95.7° | 120.0° |
| C7 | C11 | C10 | 118.0° | 120.0° |
| C7 | N7 | C14 | 137.5° | 120.0° |
| C7 | N7 | H26 | 111.3° | 120.0° |
| C11 | C10 | C12 | 119.3° | 120.1° |
| C11 | C10 | H4 | 120.4° | 120.0° |
| C3 | C4 | C5 | 114.5° | 109.5° |
| C3 | C4 | H2 | 108.2° | 109.5° |
| C3 | C4 | H3 | 108.2° | 109.5° |
| C4 | C3 | H14 | 107.4° | 109.4° |
| C4 | C3 | H15 | 107.3° | 109.5° |
| C4 | C5 | N2 | 113.6° | 109.5° |
| C5 | C4 | H2 | 108.2° | 109.4° |
| C5 | C4 | H3 | 108.2° | 109.5° |
| C4 | C5 | H16 | 108.4° | 109.4° |
| C4 | C5 | H17 | 108.4° | 109.5° |
| N6 | C9 | C12 | 119.1° | 119.9° |
| C9 | N6 | H23 | 109.5° | 120.0° |
| C9 | N6 | H24 | 109.5° | 120.0° |
| C9 | C12 | C10 | 121.0° | 120.1° |
| C9 | C12 | H25 | 119.5° | 119.9° |
| C12 | C10 | H4 | 120.3° | 119.9° |
| C10 | C12 | H25 | 119.5° | 120.0° |
| C18 | C17 | C16 | 120.8° | 119.9° |
| C17 | C18 | H30 | 119.2° | 120.0° |
| C17 | C16 | C14 | 114.6° | 109.5° |
| C17 | C16 | H28 | 108.2° | 109.5° |
| C17 | C16 | H29 | 108.2° | 109.4° |
| N7 | C14 | C16 | 112.3° | 109.4° |
| N7 | C14 | C15 | 111.3° | 109.5° |
| C14 | N7 | H26 | 111.2° | 120.0° |
| N7 | C14 | H27 | 108.4° | 109.4° |
| C5 | N2 | C6 | 125.1° | 120.0° |
| N2 | C5 | H16 | 108.4° | 109.5° |
| N2 | C5 | H17 | 108.4° | 109.5° |
| C5 | N2 | H18 | 117.4° | 120.0° |
| C16 | C14 | C15 | 109.1° | 109.5° |
| C16 | C14 | H27 | 107.6° | 109.5° |
| C14 | C16 | H28 | 108.2° | 109.5° |
| C14 | C16 | H29 | 108.2° | 109.4° |
| N2 | C6 | N3 | 120.8° | 120.0° |
| N2 | C6 | N4 | 120.2° | 120.0° |
| C6 | N2 | H18 | 117.5° | 120.0° |
| C14 | C15 | O3 | 120.5° | 120.0° |
| C14 | C15 | O5 | 109.6° | 120.0° |
| C15 | C14 | H27 | 107.8° | 109.5° |
| N3 | C6 | N4 | 119.0° | 120.0° |
| C6 | N3 | H19 | 112.0° | 120.0° |
| C6 | N4 | H20 | 120.0° | 120.0° |
| C6 | N4 | H21 | 120.0° | 120.1° |
| O3 | C15 | O5 | 129.9° | 120.0° |
| C15 | O5 | C23 | 126.5° | 117.0° |
| O5 | C23 | H8 | 109.5° | 109.5° |
| O5 | C23 | H9 | 109.4° | 109.4° |
| O5 | C23 | H10 | 109.4° | 109.4° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H8 | C23 | H9 | 109.5° | 109.6° |
| H8 | C23 | H10 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.4° |
| H11 | N1 | H12 | 109.5° | 110.9° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H16 | C5 | H17 | 109.5° | 109.5° |
| H20 | N4 | H21 | 120.0° | 119.9° |
| H23 | N6 | H24 | 109.4° | 120.0° |
| H28 | C16 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C22 | C21 | C20 | 179.9° | 179.4° |
| O4 | C22 | C21 | C19 | 179.3° | 179.9° |
| O4 | C22 | C20 | C18 | 179.8° | 179.8° |
| O4 | C22 | C21 | H7 | 0.7° | 0.0° |
| O4 | C22 | C20 | H31 | 0.2° | 0.4° |
| O1 | C2 | C1 | N1 | 53.8° | 20.0° |
| O1 | C2 | C1 | N5 | 163.5° | 180.0° |
| O1 | C2 | C1 | C3 | 177.8° | 100.0° |
| O1 | C2 | N5 | C8 | 10.1° | 4.5° |
| O1 | C2 | C1 | H1 | 64.9° | 140.0° |
| O1 | C2 | N5 | H22 | 169.9° | 175.4° |
| N1 | C1 | C2 | C3 | 124.0° | 120.0° |
| N1 | C1 | C2 | H1 | 118.7° | 120.0° |
| N1 | C1 | C2 | N5 | 142.8° | 160.0° |
| N1 | C1 | C3 | H1 | 119.5° | 120.0° |
| N1 | C1 | C3 | C4 | 28.2° | 65.0° |
| C1 | N1 | H11 | H12 | 120.0° | 123.9° |
| N1 | C1 | C3 | H14 | 92.9° | 55.0° |
| N1 | C1 | C3 | H15 | 149.4° | 175.0° |
| C22 | C21 | C19 | H7 | 180.0° | 180.0° |
| C21 | C22 | C20 | C18 | 0.1° | 0.9° |
| C22 | C21 | C19 | C17 | 0.0° | 0.0° |
| C22 | C21 | C19 | H6 | 180.0° | 179.7° |
| C21 | C22 | C20 | H31 | 179.9° | 179.8° |
| C21 | C22 | O4 | H32 | 180.0° | 90.0° |
| C20 | C22 | C21 | C19 | 0.5° | 0.6° |
| C22 | C20 | C18 | H31 | 180.0° | 179.3° |
| C22 | C20 | C18 | C17 | 0.9° | 0.6° |
| C20 | C22 | C21 | H7 | 179.5° | 179.4° |
| C22 | C20 | C18 | H30 | 179.1° | 179.4° |
| C20 | C22 | O4 | H32 | 0.1° | 90.6° |
| C21 | C19 | C17 | H6 | 180.0° | 179.7° |
| C21 | C19 | C17 | C18 | 0.9° | 0.3° |
| C21 | C19 | C17 | C16 | 179.6° | 179.7° |
| C2 | C1 | C3 | H1 | 117.5° | 120.0° |
| C1 | C2 | N5 | C8 | 153.4° | 175.5° |
| C2 | C1 | C3 | C4 | 151.3° | 175.0° |
| C2 | C1 | N1 | H11 | 180.0° | 60.1° |
| C2 | C1 | N1 | H12 | 60.0° | 176.1° |
| C2 | C1 | C3 | H14 | 30.1° | 65.1° |
| C2 | C1 | C3 | H15 | 87.5° | 55.0° |
| C1 | C2 | N5 | H22 | 26.7° | 4.5° |
| N5 | C2 | C1 | C3 | 18.8° | 80.0° |
| C2 | N5 | C8 | H22 | 180.0° | 180.0° |
| C2 | N5 | C8 | C13 | 126.3° | 34.7° |
| C2 | N5 | C8 | C9 | 52.3° | 145.0° |
| N5 | C2 | C1 | H1 | 98.5° | 40.0° |
| C1 | C3 | C4 | H14 | 121.2° | 120.0° |
| C1 | C3 | C4 | H15 | 121.2° | 120.1° |
| C1 | C3 | C4 | C5 | 97.1° | 180.0° |
| C1 | C3 | C4 | H2 | 23.7° | 60.0° |
| C1 | C3 | C4 | H3 | 142.2° | 60.0° |
| C3 | C1 | N1 | H11 | 57.0° | 60.0° |
| C3 | C1 | N1 | H12 | 177.0° | 63.9° |
| C1 | C3 | H14 | H15 | 116.3° | 120.1° |
| O2 | C7 | C11 | C13 | 121.3° | 0.1° |
| O2 | C7 | C11 | N7 | 143.2° | 179.8° |
| O2 | C7 | C11 | C10 | 63.6° | 179.9° |
| O2 | C7 | N7 | C14 | 175.8° | 0.2° |
| O2 | C7 | N7 | H26 | 4.2° | 180.0° |
| N5 | C8 | C13 | C9 | 178.7° | 179.7° |
| N5 | C8 | C13 | C11 | 178.7° | 179.8° |
| N5 | C8 | C9 | N6 | 1.8° | 0.3° |
| N5 | C8 | C9 | C12 | 178.7° | 179.8° |
| N5 | C8 | C13 | H5 | 1.2° | 0.2° |
| C20 | C18 | C17 | C19 | 1.4° | 0.0° |
| C20 | C18 | C17 | H30 | 180.0° | 180.0° |
| C20 | C18 | C17 | C16 | 179.1° | 180.0° |
| C8 | C13 | C11 | H5 | 180.0° | 180.0° |
| C8 | C13 | C11 | C7 | 175.1° | 180.0° |
| C8 | C13 | C11 | C10 | 0.1° | 0.0° |
| C13 | C8 | C9 | N6 | 179.6° | 180.0° |
| C13 | C8 | C9 | C12 | 0.1° | 0.0° |
| C13 | C8 | N5 | H22 | 53.7° | 145.2° |
| C11 | C13 | C8 | C9 | 0.1° | 0.0° |
| C13 | C11 | C7 | C10 | 175.0° | 179.9° |
| C13 | C11 | C7 | N7 | 95.5° | 179.9° |
| C13 | C11 | C10 | C12 | 0.3° | 0.0° |
| C13 | C11 | C10 | H4 | 179.7° | 180.0° |
| C19 | C17 | C18 | C16 | 179.5° | 180.0° |
| C19 | C17 | C16 | C14 | 115.7° | 90.0° |
| C17 | C19 | C21 | H7 | 180.0° | 180.0° |
| C19 | C17 | C16 | H28 | 5.1° | 30.0° |
| C19 | C17 | C16 | H29 | 123.6° | 150.0° |
| C19 | C17 | C18 | H30 | 178.6° | 180.0° |
| C8 | C9 | N6 | C12 | 179.5° | 179.9° |
| C8 | C9 | C12 | C10 | 0.1° | 0.0° |
| C9 | C8 | C13 | H5 | 179.9° | 180.0° |
| C9 | C8 | N5 | H22 | 127.7° | 35.0° |
| C8 | C9 | N6 | H23 | 180.0° | 0.0° |
| C8 | C9 | N6 | H24 | 60.0° | 180.0° |
| C8 | C9 | C12 | H25 | 179.9° | 180.0° |
| C7 | C11 | C10 | C12 | 175.5° | 180.0° |
| C11 | C7 | N7 | C14 | 44.2° | 180.0° |
| C7 | C11 | C10 | H4 | 4.5° | 0.1° |
| C7 | C11 | C13 | H5 | 4.9° | 0.0° |
| C11 | C7 | N7 | H26 | 135.8° | 0.1° |
| N7 | C7 | C11 | C10 | 79.5° | 0.1° |
| C7 | N7 | C14 | H26 | 180.0° | 179.9° |
| C7 | N7 | C14 | C16 | 74.4° | 155.1° |
| C7 | N7 | C14 | C15 | 162.8° | 84.9° |
| C7 | N7 | C14 | H27 | 44.4° | 35.0° |
| C11 | C10 | C12 | C9 | 0.3° | 0.0° |
| C11 | C10 | C12 | H4 | 180.0° | 179.9° |
| C10 | C11 | C13 | H5 | 179.9° | 180.0° |
| C11 | C10 | C12 | H25 | 179.7° | 180.0° |
| C3 | C4 | C5 | H2 | 120.7° | 120.0° |
| C3 | C4 | C5 | H3 | 120.8° | 120.1° |
| C3 | C4 | C5 | N2 | 136.5° | 180.0° |
| C4 | C3 | C1 | H1 | 91.3° | 55.0° |
| C3 | C4 | H2 | H3 | 117.7° | 120.0° |
| C4 | C3 | H14 | H15 | 116.2° | 119.9° |
| C3 | C4 | C5 | H16 | 15.9° | 60.0° |
| C3 | C4 | C5 | H17 | 102.9° | 59.9° |
| C4 | C5 | N2 | H16 | 120.6° | 120.0° |
| C4 | C5 | N2 | H17 | 120.6° | 120.0° |
| C4 | C5 | N2 | C6 | 147.1° | 180.0° |
| C5 | C4 | H2 | H3 | 117.7° | 120.0° |
| C5 | C4 | C3 | H14 | 141.8° | 60.0° |
| C5 | C4 | C3 | H15 | 24.1° | 59.9° |
| C4 | C5 | H16 | H17 | 118.1° | 120.0° |
| C4 | C5 | N2 | H18 | 32.9° | 0.1° |
| N6 | C9 | C12 | C10 | 179.4° | 180.0° |
| C9 | N6 | H23 | H24 | 120.0° | 180.0° |
| N6 | C9 | C12 | H25 | 0.6° | 0.1° |
| C9 | C12 | C10 | H25 | 180.0° | 180.0° |
| C9 | C12 | C10 | H4 | 179.7° | 180.0° |
| C12 | C9 | N6 | H23 | 0.6° | 180.0° |
| C12 | C9 | N6 | H24 | 120.6° | 0.0° |
| C18 | C17 | C16 | C14 | 64.8° | 89.9° |
| C18 | C17 | C19 | H6 | 179.1° | 180.0° |
| C18 | C17 | C16 | H28 | 174.4° | 150.0° |
| C18 | C17 | C16 | H29 | 55.9° | 30.0° |
| C17 | C18 | C20 | H31 | 179.1° | 179.9° |
| C17 | C16 | C14 | N7 | 4.6° | 65.0° |
| C17 | C16 | C14 | H28 | 120.7° | 120.0° |
| C17 | C16 | C14 | H29 | 120.7° | 119.9° |
| C17 | C16 | C14 | C15 | 128.6° | 175.0° |
| C16 | C17 | C19 | H6 | 0.4° | 0.1° |
| C17 | C16 | C14 | H27 | 114.6° | 55.0° |
| C17 | C16 | H28 | H29 | 117.7° | 120.0° |
| C16 | C17 | C18 | H30 | 0.9° | 0.0° |
| N7 | C14 | C16 | C15 | 124.0° | 120.0° |
| N7 | C14 | C16 | H27 | 119.2° | 120.0° |
| N7 | C14 | C15 | H27 | 118.8° | 120.0° |
| N7 | C14 | C15 | O3 | 32.2° | 0.0° |
| N7 | C14 | C15 | O5 | 149.7° | 180.0° |
| N7 | C14 | C16 | H28 | 125.4° | 55.0° |
| N7 | C14 | C16 | H29 | 116.1° | 175.1° |
| C5 | N2 | C6 | H18 | 180.0° | 179.9° |
| C5 | N2 | C6 | N3 | 1.6° | 0.0° |
| C5 | N2 | C6 | N4 | 179.3° | 180.0° |
| N2 | C5 | C4 | H2 | 102.8° | 60.0° |
| N2 | C5 | C4 | H3 | 15.7° | 60.0° |
| N2 | C5 | H16 | H17 | 118.1° | 120.0° |
| C16 | C14 | C15 | H27 | 116.6° | 120.1° |
| C16 | C14 | C15 | O3 | 156.8° | 120.0° |
| C16 | C14 | C15 | O5 | 25.1° | 60.0° |
| C16 | C14 | N7 | H26 | 105.6° | 25.0° |
| C14 | C16 | H28 | H29 | 117.7° | 120.0° |
| N2 | C6 | N3 | N4 | 179.2° | 180.0° |
| C6 | N2 | C5 | H16 | 92.3° | 60.0° |
| C6 | N2 | C5 | H17 | 26.5° | 60.0° |
| N2 | C6 | N3 | H19 | 179.2° | 180.0° |
| N2 | C6 | N4 | H20 | 179.2° | 0.0° |
| N2 | C6 | N4 | H21 | 0.8° | 180.0° |
| C14 | C15 | O3 | O5 | 177.7° | 180.0° |
| C14 | C15 | O5 | C23 | 164.0° | 180.0° |
| C15 | C14 | N7 | H26 | 17.2° | 95.0° |
| C15 | C14 | C16 | H28 | 110.6° | 65.0° |
| C15 | C14 | C16 | H29 | 7.9° | 55.1° |
| N3 | C6 | N2 | H18 | 178.4° | 179.9° |
| N3 | C6 | N4 | H20 | 0.0° | 180.0° |
| N3 | C6 | N4 | H21 | 180.0° | 0.0° |
| N4 | C6 | N2 | H18 | 0.7° | 0.1° |
| N4 | C6 | N3 | H19 | 0.0° | 0.0° |
| C6 | N4 | H20 | H21 | 180.0° | 180.0° |
| O3 | C15 | O5 | C23 | 13.9° | 0.0° |
| O3 | C15 | C14 | H27 | 86.6° | 120.0° |
| C15 | O5 | C23 | H8 | 180.0° | 180.0° |
| C15 | O5 | C23 | H9 | 60.0° | 59.9° |
| C15 | O5 | C23 | H10 | 60.0° | 60.0° |
| O5 | C15 | C14 | H27 | 91.5° | 60.0° |
| O5 | C23 | H8 | H9 | 120.0° | 120.0° |
| O5 | C23 | H8 | H10 | 120.0° | 120.0° |
| O5 | C23 | H9 | H10 | 120.0° | 119.9° |
| H1 | C1 | N1 | H11 | 61.8° | 179.9° |
| H1 | C1 | N1 | H12 | 58.2° | 56.1° |
| H1 | C1 | C3 | H14 | 147.6° | 175.0° |
| H1 | C1 | C3 | H15 | 29.9° | 65.0° |
| H2 | C4 | C3 | H14 | 97.5° | 180.0° |
| H2 | C4 | C3 | H15 | 144.9° | 60.0° |
| H2 | C4 | C5 | H16 | 136.6° | NaN° |
| H2 | C4 | C5 | H17 | 17.8° | 60.0° |
| H3 | C4 | C3 | H14 | 21.0° | 60.0° |
| H3 | C4 | C3 | H15 | 96.6° | 180.0° |
| H3 | C4 | C5 | H16 | 104.8° | 60.0° |
| H3 | C4 | C5 | H17 | 136.4° | 180.0° |
| H4 | C10 | C12 | H25 | 0.3° | 0.1° |
| H6 | C19 | C21 | H7 | 0.0° | 0.4° |
| H8 | C23 | H9 | H10 | 120.0° | 120.0° |
| H16 | C5 | N2 | H18 | 87.7° | 119.9° |
| H17 | C5 | N2 | H18 | 153.5° | 120.1° |
| H26 | N7 | C14 | H27 | 135.6° | 145.1° |
| H27 | C14 | C16 | H28 | 6.2° | 175.0° |
| H27 | C14 | C16 | H29 | 124.7° | 65.0° |
| H30 | C18 | C20 | H31 | 0.9° | 0.1° |
