GWU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N8 | sing | 1.46Å | 1.45Å | |
| C14 | C15 | sing | 1.51Å | 1.50Å | |
| C20 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| N8 | C13 | sing | 1.35Å | 1.35Å | |
| C15 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| O2 | C21 | sing | 1.43Å | 1.42Å | |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | O1 | doub | 1.22Å | 1.23Å | |
| C13 | N7 | sing | 1.35Å | 1.34Å | |
| N7 | C12 | sing | 1.46Å | 1.46Å | |
| O3 | C22 | sing | 1.43Å | 1.40Å | |
| C16 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C1 | doub | 1.32Å | 1.33Å | Aromatic |
| N2 | C2 | sing | 1.33Å | 1.33Å | Aromatic |
| C1 | N1 | sing | 1.32Å | 1.33Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.55Å | 1.54Å | |
| C21 | C6 | sing | 1.54Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.50Å | |
| C5 | C22 | sing | 1.55Å | 1.52Å | |
| C5 | O | sing | 1.44Å | 1.40Å | |
| C5 | N4 | sing | 1.46Å | 1.45Å | |
| C6 | O | sing | 1.44Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.49Å | |
| N1 | C | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| N4 | C4 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | N5 | sing | 1.47Å | 1.47Å | |
| C | C3 | sing | 1.41Å | 1.40Å | Aromatic |
| C | N | sing | 1.38Å | 1.34Å | |
| C3 | N3 | sing | 1.35Å | 1.38Å | Aromatic |
| C7 | N5 | sing | 1.47Å | 1.41Å | |
| N5 | C8 | sing | 1.47Å | 1.46Å | |
| C4 | N3 | doub | 1.30Å | 1.31Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N6 | sing | 1.47Å | 1.39Å | |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.08Å | 1.08Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.08Å | 1.08Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| N8 | H12 | sing | 0.97Å | 1.00Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.08Å | 1.08Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| N7 | H20 | sing | 0.97Å | 1.00Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | H23 | sing | 1.09Å | 1.10Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C10 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| N6 | H28 | sing | 1.01Å | 1.00Å | |
| N6 | H29 | sing | 1.01Å | 1.00Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| O2 | H32 | sing | 0.97Å | 0.95Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| N | H34 | sing | 0.97Å | 1.00Å | |
| N | H35 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N8 | C14 | C15 | 115.4° | 109.5° |
| C14 | N8 | C13 | 121.3° | 120.0° |
| C14 | N8 | H12 | 119.3° | 120.0° |
| N8 | C14 | H13 | 108.0° | 109.5° |
| N8 | C14 | H14 | 108.0° | 109.4° |
| C14 | C15 | C20 | 120.5° | 120.1° |
| C14 | C15 | C16 | 121.2° | 120.0° |
| C15 | C14 | H13 | 108.0° | 109.5° |
| C15 | C14 | H14 | 108.0° | 109.5° |
| C15 | C20 | C19 | 120.7° | 120.0° |
| C20 | C15 | C16 | 118.3° | 120.0° |
| C15 | C20 | H15 | 119.6° | 120.0° |
| C20 | C19 | C18 | 120.5° | 120.0° |
| C19 | C20 | H15 | 119.7° | 120.0° |
| C20 | C19 | H16 | 119.8° | 120.0° |
| N8 | C13 | O1 | 122.3° | 120.0° |
| N8 | C13 | N7 | 115.2° | 120.0° |
| C13 | N8 | H12 | 119.4° | 120.0° |
| C15 | C16 | C17 | 120.7° | 120.0° |
| C15 | C16 | H19 | 119.6° | 120.0° |
| O2 | C21 | C22 | 113.3° | 110.5° |
| O2 | C21 | C6 | 112.2° | 110.5° |
| O2 | C21 | H31 | 110.5° | 110.5° |
| C21 | O2 | H32 | 109.5° | 114.0° |
| C19 | C18 | C17 | 119.4° | 120.0° |
| C18 | C19 | H16 | 119.8° | 120.1° |
| C19 | C18 | H17 | 120.3° | 120.0° |
| O1 | C13 | N7 | 122.4° | 120.0° |
| C13 | N7 | C12 | 121.7° | 120.0° |
| C13 | N7 | H20 | 119.1° | 120.0° |
| N7 | C12 | C11 | 110.8° | 109.4° |
| C12 | N7 | H20 | 119.2° | 120.1° |
| N7 | C12 | H21 | 109.1° | 109.5° |
| N7 | C12 | H22 | 109.2° | 109.5° |
| O3 | C22 | C21 | 113.5° | 110.9° |
| O3 | C22 | C5 | 108.5° | 110.9° |
| C22 | O3 | H11 | 109.5° | 114.0° |
| O3 | C22 | H33 | 112.4° | 110.8° |
| C16 | C17 | C18 | 120.4° | 120.0° |
| C16 | C17 | H18 | 119.8° | 120.0° |
| C17 | C16 | H19 | 119.6° | 120.0° |
| C1 | N2 | C2 | 111.2° | 120.7° |
| N2 | C1 | N1 | 128.6° | 122.4° |
| N2 | C1 | H7 | 115.7° | 118.8° |
| N2 | C2 | N4 | 127.5° | 134.9° |
| N2 | C2 | C3 | 126.7° | 119.1° |
| C1 | N1 | C | 118.9° | 121.2° |
| N1 | C1 | H7 | 115.7° | 118.8° |
| C17 | C18 | H17 | 120.3° | 120.0° |
| C18 | C17 | H18 | 119.8° | 120.0° |
| C22 | C21 | C6 | 102.5° | 104.2° |
| C21 | C22 | C5 | 101.2° | 102.1° |
| C22 | C21 | H31 | 109.0° | 110.5° |
| C21 | C22 | H33 | 110.2° | 110.9° |
| C21 | C6 | O | 106.5° | 107.3° |
| C21 | C6 | C7 | 111.3° | 109.9° |
| C21 | C6 | H9 | 110.5° | 109.9° |
| C6 | C21 | H31 | 109.1° | 110.4° |
| C12 | C11 | N5 | 111.7° | 109.5° |
| C11 | C12 | H21 | 109.2° | 109.4° |
| C11 | C12 | H22 | 109.1° | 109.5° |
| C12 | C11 | H23 | 108.9° | 109.5° |
| C12 | C11 | H24 | 108.9° | 109.5° |
| C22 | C5 | O | 105.4° | 103.5° |
| C22 | C5 | N4 | 115.6° | 110.6° |
| C22 | C5 | H8 | 108.9° | 110.6° |
| C5 | C22 | H33 | 110.4° | 110.9° |
| O | C5 | N4 | 106.6° | 110.6° |
| C5 | O | C6 | 110.2° | 107.0° |
| O | C5 | H8 | 110.5° | 110.6° |
| C5 | N4 | C2 | 126.5° | 126.3° |
| C5 | N4 | C4 | 127.2° | 126.3° |
| N4 | C5 | H8 | 109.8° | 110.7° |
| O | C6 | C7 | 105.3° | 109.9° |
| O | C6 | H9 | 111.9° | 109.9° |
| C6 | C7 | N5 | 115.2° | 109.5° |
| C6 | C7 | H1 | 108.0° | 109.5° |
| C6 | C7 | H2 | 108.0° | 109.5° |
| C7 | C6 | H9 | 111.1° | 109.9° |
| N1 | C | C3 | 117.8° | 118.4° |
| N1 | C | N | 118.5° | 120.8° |
| N4 | C2 | C3 | 105.8° | 106.0° |
| C2 | N4 | C4 | 105.7° | 107.4° |
| C2 | C3 | C | 116.8° | 118.2° |
| C2 | C3 | N3 | 110.8° | 107.2° |
| N4 | C4 | N3 | 114.1° | 110.0° |
| N4 | C4 | H10 | 123.0° | 125.0° |
| C11 | N5 | C7 | 112.8° | 111.0° |
| C11 | N5 | C8 | 111.7° | 111.0° |
| N5 | C11 | H23 | 108.9° | 109.5° |
| N5 | C11 | H24 | 108.9° | 109.4° |
| C3 | C | N | 123.6° | 120.8° |
| C | C3 | N3 | 132.4° | 134.7° |
| C | N | H34 | 109.5° | 120.0° |
| C | N | H35 | 109.5° | 120.0° |
| C3 | N3 | C4 | 103.6° | 109.4° |
| C7 | N5 | C8 | 105.2° | 111.0° |
| N5 | C7 | H1 | 108.0° | 109.5° |
| N5 | C7 | H2 | 108.0° | 109.5° |
| N5 | C8 | C9 | 114.3° | 109.5° |
| N5 | C8 | H3 | 108.3° | 109.5° |
| N5 | C8 | H4 | 108.2° | 109.5° |
| N3 | C4 | H10 | 123.0° | 125.1° |
| C8 | C9 | C10 | 107.6° | 109.5° |
| C9 | C8 | H3 | 108.3° | 109.5° |
| C9 | C8 | H4 | 108.3° | 109.5° |
| C8 | C9 | H5 | 109.9° | 109.5° |
| C8 | C9 | H6 | 109.9° | 109.5° |
| C9 | C10 | N6 | 112.8° | 109.4° |
| C10 | C9 | H5 | 109.9° | 109.5° |
| C10 | C9 | H6 | 109.9° | 109.5° |
| C9 | C10 | H26 | 108.6° | 109.5° |
| C9 | C10 | H27 | 108.6° | 109.5° |
| N6 | C10 | H26 | 108.6° | 109.5° |
| N6 | C10 | H27 | 108.6° | 109.4° |
| C10 | N6 | H28 | 109.5° | 111.0° |
| C10 | N6 | H29 | 109.5° | 111.0° |
| H1 | C7 | H2 | 109.5° | 109.5° |
| H3 | C8 | H4 | 109.5° | 109.4° |
| H5 | C9 | H6 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.4° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H23 | C11 | H24 | 109.5° | 109.5° |
| H26 | C10 | H27 | 109.5° | 109.5° |
| H28 | N6 | H29 | 109.5° | 111.0° |
| H34 | N | H35 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N8 | C14 | C15 | H13 | 120.9° | 120.1° |
| N8 | C14 | C15 | H14 | 120.9° | 120.0° |
| N8 | C14 | C15 | C20 | 159.9° | 89.7° |
| C14 | N8 | C13 | H12 | 180.0° | 179.9° |
| N8 | C14 | C15 | C16 | 22.1° | 90.1° |
| C14 | N8 | C13 | O1 | 5.6° | 0.0° |
| C14 | N8 | C13 | N7 | 178.7° | 180.0° |
| N8 | C14 | H13 | H14 | 117.3° | 119.9° |
| C14 | C15 | C20 | C16 | 178.1° | 179.7° |
| C14 | C15 | C20 | C19 | 177.0° | 180.0° |
| C15 | C14 | N8 | C13 | 81.7° | 180.0° |
| C14 | C15 | C16 | C17 | 175.4° | 179.8° |
| C15 | C14 | N8 | H12 | 98.3° | 0.1° |
| C15 | C14 | H13 | H14 | 117.3° | 120.0° |
| C14 | C15 | C20 | H15 | 2.9° | 0.1° |
| C14 | C15 | C16 | H19 | 4.6° | 0.0° |
| C15 | C20 | C19 | H15 | 180.0° | 179.9° |
| C15 | C20 | C19 | C18 | 1.3° | 0.1° |
| C20 | C15 | C16 | C17 | 2.7° | 0.5° |
| C20 | C15 | C14 | H13 | 79.3° | 150.3° |
| C20 | C15 | C14 | H14 | 39.0° | 30.3° |
| C15 | C20 | C19 | H16 | 178.6° | 180.0° |
| C20 | C15 | C16 | H19 | 177.3° | 179.8° |
| C19 | C20 | C15 | C16 | 1.1° | 0.3° |
| C20 | C19 | C18 | H16 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 2.1° | 0.1° |
| C20 | C19 | C18 | H17 | 177.9° | 180.0° |
| N8 | C13 | O1 | N7 | 175.4° | 180.0° |
| N8 | C13 | N7 | C12 | 177.4° | 180.0° |
| C13 | N8 | C14 | H13 | 157.4° | 59.9° |
| C13 | N8 | C14 | H14 | 39.2° | 60.0° |
| N8 | C13 | N7 | H20 | 2.6° | 0.0° |
| C15 | C16 | C17 | H19 | 180.0° | 179.8° |
| C15 | C16 | C17 | C18 | 2.0° | 0.5° |
| C16 | C15 | C14 | H13 | 98.8° | 30.0° |
| C16 | C15 | C14 | H14 | 143.0° | 150.0° |
| C16 | C15 | C20 | H15 | 179.0° | 179.8° |
| C15 | C16 | C17 | H18 | 178.0° | 179.7° |
| O2 | C21 | C22 | O3 | 28.7° | 20.4° |
| O2 | C21 | C22 | C6 | 121.1° | 118.7° |
| O2 | C21 | C22 | H31 | 123.4° | 122.7° |
| O2 | C21 | C6 | H31 | 122.8° | 122.6° |
| O2 | C21 | C22 | C5 | 87.3° | 97.8° |
| O2 | C21 | C6 | O | 101.7° | 120.7° |
| O2 | C21 | C6 | C7 | 144.0° | 119.9° |
| O2 | C21 | C6 | H9 | 20.0° | 1.2° |
| O2 | C21 | C22 | H33 | 155.8° | 143.9° |
| C19 | C18 | C17 | C16 | 0.5° | 0.3° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C18 | C19 | C20 | H15 | 178.6° | 180.0° |
| C19 | C18 | C17 | H18 | 179.5° | 179.9° |
| O1 | C13 | N7 | C12 | 1.7° | 0.0° |
| O1 | C13 | N8 | H12 | 174.4° | 180.0° |
| O1 | C13 | N7 | H20 | 178.3° | 180.0° |
| C13 | N7 | C12 | H20 | 180.0° | 180.0° |
| C13 | N7 | C12 | C11 | 131.4° | 180.0° |
| N7 | C13 | N8 | H12 | 1.3° | 0.0° |
| C13 | N7 | C12 | H21 | 11.2° | 60.1° |
| C13 | N7 | C12 | H22 | 108.4° | 60.0° |
| N7 | C12 | C11 | H21 | 120.2° | 119.9° |
| N7 | C12 | C11 | H22 | 120.2° | 120.0° |
| N7 | C12 | C11 | N5 | 172.4° | 178.4° |
| N7 | C12 | H21 | H22 | 119.4° | 120.1° |
| N7 | C12 | C11 | H23 | 52.1° | 58.5° |
| N7 | C12 | C11 | H24 | 67.3° | 61.6° |
| O3 | C22 | C21 | C5 | 116.0° | 118.2° |
| O3 | C22 | C21 | H33 | 127.1° | 123.6° |
| O3 | C22 | C21 | C6 | 149.9° | 139.1° |
| O3 | C22 | C5 | H33 | 123.6° | 123.6° |
| O3 | C22 | C5 | O | 156.7° | 155.2° |
| O3 | C22 | C5 | N4 | 85.9° | 86.3° |
| O3 | C22 | C5 | H8 | 38.1° | 36.7° |
| O3 | C22 | C21 | H31 | 94.7° | 102.3° |
| C16 | C17 | C18 | H18 | 180.0° | 179.8° |
| C16 | C17 | C18 | H17 | 179.5° | 179.8° |
| N2 | C1 | N1 | H7 | 180.0° | 180.0° |
| N2 | C1 | N1 | C | 1.1° | 0.0° |
| C1 | N2 | C2 | N4 | 176.8° | 180.0° |
| C1 | N2 | C2 | C3 | 1.2° | 0.0° |
| C2 | N2 | C1 | N1 | 0.4° | 0.0° |
| N2 | C2 | N4 | C5 | 7.8° | 0.0° |
| N2 | C2 | N4 | C3 | 178.3° | 180.0° |
| N2 | C2 | N4 | C4 | 179.0° | 180.0° |
| N2 | C2 | C3 | C | 0.6° | 0.0° |
| N2 | C2 | C3 | N3 | 178.7° | 180.0° |
| C2 | N2 | C1 | H7 | 179.6° | 180.0° |
| C1 | N1 | C | C3 | 1.7° | 0.1° |
| C1 | N1 | C | N | 174.6° | 180.0° |
| C17 | C18 | C19 | H16 | 177.9° | 180.0° |
| C18 | C17 | C16 | H19 | 178.1° | 179.8° |
| C22 | C21 | C6 | H31 | 115.4° | 118.7° |
| C21 | C22 | C5 | H33 | 116.7° | 118.2° |
| C21 | C22 | C5 | O | 37.0° | 37.0° |
| C21 | C22 | C5 | N4 | 154.4° | 155.6° |
| C22 | C21 | C6 | O | 20.1° | 2.0° |
| C22 | C21 | C6 | C7 | 94.2° | 121.4° |
| C21 | C22 | C5 | H8 | 81.6° | 81.5° |
| C22 | C21 | C6 | H9 | 141.9° | 117.5° |
| C21 | C22 | O3 | H11 | 180.0° | 67.3° |
| C22 | C21 | O2 | H32 | 180.0° | 61.4° |
| C6 | C21 | C22 | C5 | 33.8° | 20.9° |
| C21 | C6 | O | C5 | 3.1° | 26.4° |
| C21 | C6 | O | C7 | 118.3° | 119.5° |
| C21 | C6 | O | H9 | 120.9° | 119.5° |
| C21 | C6 | C7 | H9 | 123.6° | 121.1° |
| C21 | C6 | C7 | N5 | 92.9° | 175.7° |
| C21 | C6 | C7 | H1 | 28.0° | 55.7° |
| C21 | C6 | C7 | H2 | 146.3° | 64.3° |
| C6 | C21 | O2 | H32 | 64.6° | 176.2° |
| C6 | C21 | C22 | H33 | 83.0° | 97.3° |
| C12 | C11 | N5 | H23 | 120.3° | 120.0° |
| C12 | C11 | N5 | H24 | 120.3° | 120.1° |
| C12 | C11 | N5 | C7 | 100.9° | 75.9° |
| C12 | C11 | N5 | C8 | 140.8° | 160.1° |
| C11 | C12 | N7 | H20 | 48.6° | 0.1° |
| C11 | C12 | H21 | H22 | 119.4° | 120.0° |
| C12 | C11 | H23 | H24 | 119.0° | 120.1° |
| C22 | C5 | O | N4 | 123.3° | 118.5° |
| C22 | C5 | O | H8 | 117.5° | 118.5° |
| C22 | C5 | N4 | H8 | 123.6° | 122.9° |
| C22 | C5 | O | C6 | 25.7° | 40.0° |
| C22 | C5 | N4 | C2 | 145.0° | 85.0° |
| C22 | C5 | N4 | C4 | 45.6° | 95.0° |
| C5 | C22 | O3 | H11 | 68.3° | 180.0° |
| C5 | C22 | C21 | H31 | 149.3° | 139.5° |
| O | C5 | N4 | H8 | 119.7° | 122.9° |
| C5 | O | C6 | C7 | 121.5° | 145.9° |
| O | C5 | N4 | C2 | 98.3° | 160.9° |
| O | C5 | N4 | C4 | 71.1° | 19.1° |
| C5 | O | C6 | H9 | 117.8° | 93.0° |
| O | C5 | C22 | H33 | 79.7° | 81.2° |
| N4 | C5 | O | C6 | 148.9° | 158.6° |
| C5 | N4 | C2 | C4 | 171.2° | 180.0° |
| C5 | N4 | C2 | C3 | 170.6° | 180.0° |
| C5 | N4 | C4 | N3 | 170.3° | 180.0° |
| C5 | N4 | C4 | H10 | 9.7° | 0.0° |
| N4 | C5 | C22 | H33 | 37.6° | 37.3° |
| O | C6 | C7 | H9 | 121.3° | 121.0° |
| O | C6 | C7 | N5 | 152.1° | 66.5° |
| O | C6 | C7 | H1 | 87.1° | 173.5° |
| O | C6 | C7 | H2 | 31.3° | 53.5° |
| C6 | O | C5 | H8 | 91.9° | 78.5° |
| O | C6 | C21 | H31 | 135.5° | 116.7° |
| C6 | C7 | N5 | C11 | 51.6° | 170.0° |
| C6 | C7 | N5 | H1 | 120.8° | 120.0° |
| C6 | C7 | N5 | H2 | 120.8° | 120.0° |
| C6 | C7 | N5 | C8 | 173.6° | 66.0° |
| C6 | C7 | H1 | H2 | 117.4° | 120.0° |
| C7 | C6 | C21 | H31 | 21.2° | 2.8° |
| N1 | C | C3 | C2 | 1.0° | 0.1° |
| N1 | C | C3 | N | 176.1° | 179.9° |
| N1 | C | C3 | N3 | 176.7° | 180.0° |
| C | N1 | C1 | H7 | 178.9° | 179.9° |
| N1 | C | N | H34 | 0.0° | 0.1° |
| N1 | C | N | H35 | 120.0° | 180.0° |
| N4 | C2 | C3 | C | 177.8° | 180.0° |
| N4 | C2 | C3 | N3 | 0.3° | 0.0° |
| C2 | N4 | C4 | N3 | 0.8° | 0.0° |
| C2 | N4 | C5 | H8 | 21.4° | 37.9° |
| C2 | N4 | C4 | H10 | 179.2° | 180.0° |
| C3 | C2 | N4 | C4 | 0.7° | 0.0° |
| C2 | C3 | C | N3 | 177.6° | 179.9° |
| C2 | C3 | C | N | 175.1° | 180.0° |
| C2 | C3 | N3 | C4 | 0.1° | 0.0° |
| N4 | C4 | N3 | C3 | 0.6° | 0.0° |
| N4 | C4 | N3 | H10 | 180.0° | 180.0° |
| C4 | N4 | C5 | H8 | 169.2° | 142.1° |
| C11 | N5 | C7 | C8 | 122.0° | 123.9° |
| C11 | N5 | C8 | C9 | 81.1° | 72.2° |
| C11 | N5 | C7 | H1 | 172.4° | 70.0° |
| C11 | N5 | C7 | H2 | 69.3° | 50.0° |
| C11 | N5 | C8 | H3 | 158.3° | 47.8° |
| C11 | N5 | C8 | H4 | 39.6° | 167.7° |
| N5 | C11 | C12 | H21 | 67.4° | 61.6° |
| N5 | C11 | C12 | H22 | 52.2° | 58.4° |
| N5 | C11 | H23 | H24 | 119.0° | 119.9° |
| C | C3 | N3 | C4 | 177.9° | 180.0° |
| C3 | C | N | H34 | 176.1° | 180.0° |
| C3 | C | N | H35 | 63.9° | 0.1° |
| N | C | C3 | N3 | 7.3° | 0.1° |
| C | N | H34 | H35 | 120.0° | 179.9° |
| C3 | N3 | C4 | H10 | 179.4° | 180.0° |
| C7 | N5 | C8 | C9 | 156.2° | 163.8° |
| N5 | C7 | H1 | H2 | 117.4° | 120.0° |
| C7 | N5 | C8 | H3 | 35.5° | 76.2° |
| C7 | N5 | C8 | H4 | 83.1° | 43.8° |
| N5 | C7 | C6 | H9 | 30.8° | 54.6° |
| C7 | N5 | C11 | H23 | 19.4° | 44.0° |
| C7 | N5 | C11 | H24 | 138.7° | 164.0° |
| N5 | C8 | C9 | H3 | 120.7° | 120.0° |
| N5 | C8 | C9 | H4 | 120.7° | 120.0° |
| N5 | C8 | C9 | C10 | 171.8° | 174.5° |
| C8 | N5 | C7 | H1 | 65.6° | 53.9° |
| C8 | N5 | C7 | H2 | 52.7° | 173.9° |
| N5 | C8 | H3 | H4 | 117.8° | 120.0° |
| N5 | C8 | C9 | H5 | 52.1° | 65.5° |
| N5 | C8 | C9 | H6 | 68.5° | 54.5° |
| C8 | N5 | C11 | H23 | 98.9° | 79.9° |
| C8 | N5 | C11 | H24 | 20.5° | 40.0° |
| C8 | C9 | C10 | H5 | 119.7° | 120.0° |
| C8 | C9 | C10 | H6 | 119.7° | 120.0° |
| C8 | C9 | C10 | N6 | 153.3° | 180.0° |
| C9 | C8 | H3 | H4 | 117.8° | 120.0° |
| C8 | C9 | H5 | H6 | 120.9° | 120.0° |
| C8 | C9 | C10 | H26 | 86.2° | 60.0° |
| C8 | C9 | C10 | H27 | 32.8° | 60.1° |
| C9 | C10 | N6 | H26 | 120.5° | 120.0° |
| C9 | C10 | N6 | H27 | 120.5° | 120.0° |
| C10 | C9 | C8 | H3 | 67.5° | 65.5° |
| C10 | C9 | C8 | H4 | 51.1° | 54.5° |
| C10 | C9 | H5 | H6 | 120.9° | 120.1° |
| C9 | C10 | H26 | H27 | 118.5° | 120.0° |
| C9 | C10 | N6 | H28 | 180.0° | 180.0° |
| C9 | C10 | N6 | H29 | 60.0° | 56.0° |
| N6 | C10 | C9 | H5 | 33.6° | 60.0° |
| N6 | C10 | C9 | H6 | 87.0° | 60.0° |
| N6 | C10 | H26 | H27 | 118.5° | 120.0° |
| C10 | N6 | H28 | H29 | 120.0° | 124.0° |
| H1 | C7 | C6 | H9 | 151.6° | 65.4° |
| H2 | C7 | C6 | H9 | 90.1° | 174.6° |
| H3 | C8 | C9 | H5 | 172.8° | 54.5° |
| H3 | C8 | C9 | H6 | 52.2° | 174.5° |
| H4 | C8 | C9 | H5 | 68.6° | 174.5° |
| H4 | C8 | C9 | H6 | 170.9° | 65.5° |
| H5 | C9 | C10 | H26 | 154.1° | NaN° |
| H5 | C9 | C10 | H27 | 86.9° | 59.9° |
| H6 | C9 | C10 | H26 | 33.5° | 60.0° |
| H6 | C9 | C10 | H27 | 152.5° | 180.0° |
| H8 | C5 | C22 | H33 | 161.7° | 160.3° |
| H9 | C6 | C21 | H31 | 102.7° | 123.9° |
| H11 | O3 | C22 | H33 | 54.0° | 56.3° |
| H12 | N8 | C14 | H13 | 22.6° | 120.0° |
| H12 | N8 | C14 | H14 | 140.8° | 120.0° |
| H15 | C20 | C19 | H16 | 1.4° | 0.1° |
| H16 | C19 | C18 | H17 | 2.1° | 0.1° |
| H17 | C18 | C17 | H18 | 0.5° | 0.1° |
| H18 | C17 | C16 | H19 | 1.9° | 0.0° |
| H20 | N7 | C12 | H21 | 168.8° | 120.0° |
| H20 | N7 | C12 | H22 | 71.6° | 119.9° |
| H21 | C12 | C11 | H23 | 172.3° | 178.4° |
| H21 | C12 | C11 | H24 | 52.9° | 58.4° |
| H22 | C12 | C11 | H23 | 68.1° | 61.6° |
| H22 | C12 | C11 | H24 | 172.5° | 178.4° |
| H26 | C10 | N6 | H28 | 59.5° | 60.0° |
| H26 | C10 | N6 | H29 | 179.6° | 176.0° |
| H27 | C10 | N6 | H28 | 59.5° | 60.0° |
| H27 | C10 | N6 | H29 | 60.5° | 64.0° |
| H31 | C21 | O2 | H32 | 57.4° | 61.2° |
| H31 | C21 | C22 | H33 | 32.4° | 21.3° |
