A1IQS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.22Å | 1.22Å | |
| C | N | sing | 1.34Å | 1.39Å | |
| N | C1 | sing | 1.35Å | 1.41Å | |
| O1 | C1 | doub | 1.22Å | 1.22Å | |
| C1 | C2 | sing | 1.41Å | 1.44Å | |
| C2 | N1 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | N1 | sing | 1.35Å | 1.37Å | Aromatic |
| N2 | C3 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | N2 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | C4 | doub | 1.39Å | 1.37Å | Aromatic |
| N3 | C4 | sing | 1.39Å | 1.37Å | |
| C | N3 | sing | 1.35Å | 1.39Å | |
| C5 | N3 | sing | 1.47Å | 1.47Å | |
| N1 | C6 | sing | 1.46Å | 1.48Å | |
| C6 | C7 | sing | 1.51Å | 1.55Å | |
| O2 | C7 | sing | 1.43Å | 1.44Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.47Å | 1.53Å | |
| O3 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| C10 | N4 | sing | 1.45Å | 1.46Å | |
| N4 | C11 | sing | 1.35Å | 1.35Å | |
| C11 | O4 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| N5 | C12 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.51Å | 1.49Å | |
| C14 | C15 | sing | 1.46Å | 1.44Å | Aromatic |
| C15 | C16 | doub | 1.41Å | 1.40Å | Aromatic |
| C16 | N6 | sing | 1.38Å | 1.38Å | Aromatic |
| N6 | C17 | sing | 1.37Å | 1.37Å | Aromatic |
| C17 | C14 | doub | 1.34Å | 1.37Å | Aromatic |
| C18 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.37Å | 1.39Å | Aromatic |
| C15 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C22 | N4 | sing | 1.48Å | 1.46Å | |
| C6 | C22 | sing | 1.54Å | 1.52Å | |
| C23 | C7 | sing | 1.53Å | 1.52Å | |
| C24 | N | sing | 1.46Å | 1.47Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H1 | sing | 1.09Å | 1.10Å | |
| N5 | H13 | sing | 1.01Å | 1.00Å | |
| N5 | H14 | sing | 1.01Å | 1.00Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| O2 | H7 | sing | 0.97Å | 0.95Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N | 121.3° | 119.2° |
| O | C | N3 | 121.3° | 119.2° |
| C | N | C1 | 126.2° | 121.0° |
| N | C | N3 | 117.4° | 121.7° |
| C | N | C24 | 116.6° | 119.5° |
| N | C1 | O1 | 120.4° | 120.4° |
| N | C1 | C2 | 112.5° | 119.2° |
| C1 | N | C24 | 117.3° | 119.5° |
| O1 | C1 | C2 | 127.1° | 120.4° |
| C1 | C2 | N1 | 132.1° | 134.6° |
| C1 | C2 | C4 | 122.5° | 119.2° |
| C2 | N1 | C3 | 104.6° | 107.0° |
| N1 | C2 | C4 | 105.4° | 106.2° |
| C2 | N1 | C6 | 128.5° | 126.5° |
| N1 | C3 | N2 | 114.0° | 109.8° |
| C3 | N1 | C6 | 126.9° | 126.5° |
| N1 | C3 | H3 | 123.0° | 125.2° |
| C3 | N2 | C4 | 103.9° | 109.7° |
| N2 | C3 | H3 | 123.0° | 125.1° |
| N2 | C4 | C2 | 112.0° | 107.3° |
| N2 | C4 | N3 | 126.3° | 133.9° |
| C2 | C4 | N3 | 121.7° | 118.9° |
| C4 | N3 | C | 119.8° | 120.1° |
| C4 | N3 | C5 | 121.4° | 120.0° |
| C | N3 | C5 | 118.8° | 119.9° |
| N3 | C5 | H6 | 109.5° | 109.5° |
| N3 | C5 | H5 | 109.5° | 109.5° |
| N3 | C5 | H4 | 109.4° | 109.4° |
| N1 | C6 | C7 | 117.9° | 109.4° |
| N1 | C6 | C22 | 112.7° | 109.4° |
| N1 | C6 | H | 104.2° | 109.4° |
| C6 | C7 | O2 | 105.0° | 109.5° |
| C6 | C7 | C8 | 108.8° | 109.4° |
| C7 | C6 | C22 | 112.9° | 110.1° |
| C6 | C7 | C23 | 115.2° | 109.5° |
| C7 | C6 | H | 103.5° | 109.4° |
| O2 | C7 | C8 | 111.5° | 109.5° |
| O2 | C7 | C23 | 106.6° | 109.5° |
| C7 | O2 | H7 | 109.5° | 114.0° |
| C7 | C8 | C9 | 120.5° | 114.3° |
| C8 | C7 | C23 | 109.7° | 109.4° |
| C7 | C8 | H8 | 106.7° | 108.5° |
| C7 | C8 | H9 | 106.7° | 108.5° |
| C8 | C9 | O3 | 109.2° | 109.4° |
| C8 | C9 | C10 | 114.5° | 110.4° |
| C9 | C8 | H8 | 106.6° | 108.5° |
| C9 | C8 | H9 | 106.6° | 108.5° |
| C8 | C9 | H1 | 107.5° | 109.4° |
| O3 | C9 | C10 | 109.2° | 109.3° |
| O3 | C9 | H1 | 108.7° | 109.1° |
| C9 | O3 | H10 | 109.5° | 114.0° |
| C9 | C10 | N4 | 112.9° | 109.6° |
| C9 | C10 | H12 | 108.6° | 109.5° |
| C9 | C10 | H11 | 108.6° | 109.5° |
| C10 | C9 | H1 | 107.5° | 109.3° |
| C10 | N4 | C11 | 123.8° | 118.6° |
| C10 | N4 | C22 | 115.9° | 122.7° |
| N4 | C10 | H12 | 108.6° | 109.4° |
| N4 | C10 | H11 | 108.6° | 109.4° |
| N4 | C11 | O4 | 121.7° | 120.0° |
| N4 | C11 | C12 | 118.7° | 120.0° |
| C11 | N4 | C22 | 120.3° | 118.7° |
| O4 | C11 | C12 | 119.6° | 120.0° |
| C11 | C12 | N5 | 110.1° | 109.5° |
| C11 | C12 | C13 | 110.7° | 109.5° |
| C11 | C12 | H2 | 109.0° | 109.5° |
| N5 | C12 | C13 | 108.6° | 109.5° |
| N5 | C12 | H2 | 109.6° | 109.5° |
| C12 | N5 | H13 | 109.5° | 111.0° |
| C12 | N5 | H14 | 109.5° | 111.0° |
| C12 | C13 | C14 | 113.2° | 109.5° |
| C12 | C13 | H15 | 108.5° | 109.5° |
| C12 | C13 | H16 | 108.5° | 109.5° |
| C13 | C12 | H2 | 108.8° | 109.5° |
| C13 | C14 | C15 | 127.2° | 126.5° |
| C13 | C14 | C17 | 127.1° | 126.5° |
| C14 | C13 | H15 | 108.5° | 109.4° |
| C14 | C13 | H16 | 108.5° | 109.4° |
| C14 | C15 | C16 | 107.4° | 106.1° |
| C15 | C14 | C17 | 105.7° | 107.0° |
| C14 | C15 | C21 | 134.0° | 134.0° |
| C15 | C16 | N6 | 107.5° | 107.1° |
| C15 | C16 | C18 | 122.0° | 119.3° |
| C16 | C15 | C21 | 118.6° | 119.9° |
| C16 | N6 | C17 | 108.8° | 109.9° |
| N6 | C16 | C18 | 130.5° | 133.5° |
| C16 | N6 | H17 | 125.6° | 125.0° |
| N6 | C17 | C14 | 110.6° | 110.0° |
| N6 | C17 | H18 | 124.7° | 125.0° |
| C17 | N6 | H17 | 125.6° | 125.1° |
| C14 | C17 | H18 | 124.7° | 125.0° |
| C16 | C18 | C19 | 118.2° | 119.8° |
| C16 | C18 | H19 | 120.9° | 120.1° |
| C18 | C19 | C20 | 120.8° | 120.7° |
| C19 | C18 | H19 | 120.9° | 120.2° |
| C18 | C19 | H20 | 119.6° | 119.6° |
| C19 | C20 | C21 | 120.8° | 120.5° |
| C19 | C20 | H21 | 119.6° | 119.7° |
| C20 | C19 | H20 | 119.6° | 119.7° |
| C20 | C21 | C15 | 119.7° | 119.8° |
| C21 | C20 | H21 | 119.6° | 119.8° |
| C20 | C21 | H22 | 120.2° | 120.1° |
| C15 | C21 | H22 | 120.1° | 120.1° |
| N4 | C22 | C6 | 111.4° | 112.2° |
| N4 | C22 | H23 | 109.0° | 108.9° |
| N4 | C22 | H24 | 109.0° | 109.0° |
| C22 | C6 | H | 103.7° | 109.2° |
| C6 | C22 | H23 | 109.0° | 109.0° |
| C6 | C22 | H24 | 109.0° | 109.0° |
| C7 | C23 | H25 | 109.5° | 109.5° |
| C7 | C23 | H27 | 109.4° | 109.5° |
| C7 | C23 | H26 | 109.5° | 109.5° |
| N | C24 | H28 | 109.5° | 109.5° |
| N | C24 | H30 | 109.5° | 109.5° |
| N | C24 | H29 | 109.5° | 109.5° |
| H6 | C5 | H5 | 109.4° | 109.5° |
| H6 | C5 | H4 | 109.5° | 109.5° |
| H5 | C5 | H4 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 108.4° |
| H12 | C10 | H11 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.4° | 108.8° |
| H28 | C24 | H30 | 109.4° | 109.5° |
| H28 | C24 | H29 | 109.5° | 109.5° |
| H30 | C24 | H29 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.4° |
| H25 | C23 | H26 | 109.5° | 109.4° |
| H27 | C23 | H26 | 109.5° | 109.5° |
| H13 | N5 | H14 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N | N3 | 179.9° | 179.7° |
| O | C | N | C1 | 179.9° | 179.7° |
| O | C | N3 | C4 | 179.1° | 179.9° |
| O | C | N3 | C5 | 1.5° | 0.1° |
| O | C | N | C24 | 0.3° | 0.1° |
| C | N | C1 | C24 | 179.6° | 179.6° |
| C | N | C1 | O1 | 177.4° | 179.6° |
| C | N | C1 | C2 | 1.0° | 0.4° |
| N | C | N3 | C4 | 0.8° | 0.4° |
| N | C | N3 | C5 | 178.6° | 179.6° |
| C | N | C24 | H28 | 180.0° | 90.4° |
| C | N | C24 | H30 | 60.0° | 29.6° |
| C | N | C24 | H29 | 60.0° | 149.6° |
| N | C1 | O1 | C2 | 178.1° | 180.0° |
| N | C1 | C2 | N1 | 178.4° | 180.0° |
| N | C1 | C2 | C4 | 1.4° | 0.1° |
| C1 | N | C | N3 | 0.0° | 0.7° |
| C1 | N | C24 | H28 | 0.4° | 90.0° |
| C1 | N | C24 | H30 | 120.4° | 150.0° |
| C1 | N | C24 | H29 | 119.6° | 30.0° |
| O1 | C1 | C2 | N1 | 3.3° | 0.0° |
| O1 | C1 | C2 | C4 | 176.9° | 179.9° |
| O1 | C1 | N | C24 | 3.1° | 0.0° |
| C1 | C2 | N1 | C4 | 179.8° | 179.9° |
| C1 | C2 | N1 | C3 | 179.8° | 179.7° |
| C1 | C2 | C4 | N2 | 179.7° | 179.8° |
| C1 | C2 | C4 | N3 | 0.7° | 0.3° |
| C1 | C2 | N1 | C6 | 1.4° | 0.1° |
| C2 | C1 | N | C24 | 178.5° | 180.0° |
| C2 | N1 | C3 | C6 | 178.4° | 179.8° |
| C2 | N1 | C3 | N2 | 0.2° | 0.3° |
| N1 | C2 | C4 | N2 | 0.4° | 0.1° |
| N1 | C2 | C4 | N3 | 179.1° | 179.8° |
| C2 | N1 | C6 | C7 | 70.7° | 116.8° |
| C2 | N1 | C6 | C22 | 63.6° | 3.8° |
| C2 | N1 | C6 | H | 175.4° | 123.4° |
| C2 | N1 | C3 | H3 | 179.8° | 179.8° |
| N1 | C3 | N2 | H3 | 180.0° | 180.0° |
| N1 | C3 | N2 | C4 | 0.0° | 0.2° |
| C3 | N1 | C2 | C4 | 0.4° | 0.2° |
| C3 | N1 | C6 | C7 | 111.2° | 63.5° |
| C3 | N1 | C6 | C22 | 114.5° | 175.9° |
| C3 | N1 | C6 | H | 2.7° | 56.3° |
| C3 | N2 | C4 | C2 | 0.3° | 0.0° |
| C3 | N2 | C4 | N3 | 179.2° | 179.9° |
| N2 | C3 | N1 | C6 | 178.7° | 180.0° |
| N2 | C4 | C2 | N3 | 179.5° | 179.9° |
| N2 | C4 | N3 | C | 179.0° | 179.9° |
| N2 | C4 | N3 | C5 | 1.6° | 0.1° |
| C4 | N2 | C3 | H3 | 179.9° | 179.8° |
| C2 | C4 | N3 | C | 0.4° | 0.0° |
| C2 | C4 | N3 | C5 | 178.9° | 180.0° |
| C4 | C2 | N1 | C6 | 178.8° | 180.0° |
| C4 | N3 | C | C5 | 179.4° | 180.0° |
| C4 | N3 | C5 | H6 | 180.0° | 90.0° |
| C4 | N3 | C5 | H5 | 60.0° | 149.9° |
| C4 | N3 | C5 | H4 | 60.0° | 30.0° |
| N3 | C | N | C24 | 179.6° | 179.8° |
| C | N3 | C5 | H6 | 0.6° | 90.0° |
| C | N3 | C5 | H5 | 119.4° | 30.1° |
| C | N3 | C5 | H4 | 120.6° | 150.0° |
| N3 | C5 | H6 | H5 | 120.0° | 120.1° |
| N3 | C5 | H6 | H4 | 120.0° | 119.9° |
| N3 | C5 | H5 | H4 | 120.0° | 119.9° |
| N1 | C6 | C7 | C22 | 134.2° | 120.2° |
| N1 | C6 | C7 | H | 114.3° | 119.8° |
| N1 | C6 | C7 | O2 | 76.0° | 148.3° |
| N1 | C6 | C7 | C8 | 164.6° | 28.3° |
| N1 | C6 | C22 | N4 | 129.6° | 79.7° |
| N1 | C6 | C22 | H | 112.0° | 119.7° |
| N1 | C6 | C7 | C23 | 41.0° | 91.6° |
| N1 | C6 | C22 | H23 | 110.1° | 159.7° |
| N1 | C6 | C22 | H24 | 9.3° | 41.1° |
| C6 | N1 | C3 | H3 | 1.3° | 0.0° |
| C6 | C7 | O2 | C8 | 117.6° | 119.9° |
| C6 | C7 | O2 | C23 | 122.7° | 120.1° |
| C6 | C7 | C8 | C23 | 126.8° | 120.0° |
| C6 | C7 | C8 | C9 | 49.1° | 85.0° |
| C7 | C6 | C22 | N4 | 93.7° | 40.6° |
| C7 | C6 | C22 | H | 111.3° | 120.1° |
| C6 | C7 | C8 | H8 | 72.4° | 36.2° |
| C6 | C7 | C8 | H9 | 170.7° | 153.8° |
| C7 | C6 | C22 | H23 | 26.6° | 80.1° |
| C7 | C6 | C22 | H24 | 146.0° | 161.3° |
| C6 | C7 | C23 | H25 | 180.0° | 60.0° |
| C6 | C7 | C23 | H27 | 60.0° | 180.0° |
| C6 | C7 | C23 | H26 | 60.0° | 59.9° |
| C6 | C7 | O2 | H7 | 180.0° | 180.0° |
| O2 | C7 | C8 | C23 | 117.8° | 120.0° |
| O2 | C7 | C8 | C9 | 66.2° | 35.0° |
| O2 | C7 | C6 | C22 | 149.8° | 28.1° |
| O2 | C7 | C6 | H | 38.3° | 92.0° |
| O2 | C7 | C8 | H8 | 172.2° | 156.2° |
| O2 | C7 | C8 | H9 | 55.3° | 86.2° |
| O2 | C7 | C23 | H25 | 64.0° | 60.1° |
| O2 | C7 | C23 | H27 | 176.1° | 59.9° |
| O2 | C7 | C23 | H26 | 56.1° | 180.0° |
| C7 | C8 | C9 | H8 | 121.6° | 121.2° |
| C7 | C8 | C9 | H9 | 121.6° | 121.2° |
| C7 | C8 | C9 | O3 | 34.8° | 57.5° |
| C7 | C8 | C9 | C10 | 88.0° | 62.8° |
| C8 | C7 | C6 | C22 | 30.4° | 91.9° |
| C8 | C7 | C6 | H | 81.1° | 148.1° |
| C7 | C8 | H8 | H9 | 115.0° | 117.7° |
| C8 | C7 | C23 | H25 | 56.9° | 179.9° |
| C8 | C7 | C23 | H27 | 63.1° | 60.1° |
| C8 | C7 | C23 | H26 | 176.9° | 59.9° |
| C7 | C8 | C9 | H1 | 152.6° | 176.9° |
| C8 | C7 | O2 | H7 | 62.4° | 60.1° |
| C8 | C9 | O3 | C10 | 125.9° | 120.9° |
| C8 | C9 | O3 | H1 | 117.0° | 119.6° |
| C8 | C9 | C10 | H1 | 119.4° | 120.3° |
| C8 | C9 | C10 | N4 | 59.9° | 71.3° |
| C9 | C8 | C7 | C23 | 176.0° | 155.0° |
| C9 | C8 | H8 | H9 | 115.0° | 117.6° |
| C8 | C9 | C10 | H12 | 60.7° | 48.7° |
| C8 | C9 | C10 | H11 | 179.6° | 168.7° |
| C8 | C9 | O3 | H10 | 180.0° | 175.3° |
| O3 | C9 | C10 | H1 | 117.8° | 119.4° |
| O3 | C9 | C10 | N4 | 62.9° | 49.0° |
| O3 | C9 | C8 | H8 | 156.3° | 178.7° |
| O3 | C9 | C8 | H9 | 86.8° | 63.8° |
| O3 | C9 | C10 | H12 | 176.6° | 169.0° |
| O3 | C9 | C10 | H11 | 57.6° | 71.0° |
| C9 | C10 | N4 | H12 | 120.5° | 120.0° |
| C9 | C10 | N4 | H11 | 120.5° | 120.1° |
| C9 | C10 | N4 | C11 | 122.7° | 89.3° |
| C9 | C10 | N4 | C22 | 54.5° | 90.7° |
| C10 | C9 | C8 | H8 | 33.5° | 58.4° |
| C10 | C9 | C8 | H9 | 150.4° | 176.0° |
| C9 | C10 | H12 | H11 | 118.4° | 120.0° |
| C10 | C9 | O3 | H10 | 54.0° | 54.4° |
| C10 | N4 | C11 | C22 | 177.1° | 180.0° |
| C10 | N4 | C11 | O4 | 120.2° | 3.4° |
| C10 | N4 | C11 | C12 | 59.8° | 176.7° |
| C10 | N4 | C22 | C6 | 86.6° | 42.1° |
| N4 | C10 | H12 | H11 | 118.4° | 119.9° |
| C10 | N4 | C22 | H23 | 33.7° | 162.8° |
| C10 | N4 | C22 | H24 | 153.1° | 78.6° |
| N4 | C10 | C9 | H1 | 179.3° | 168.4° |
| N4 | C11 | O4 | C12 | 180.0° | 179.9° |
| N4 | C11 | C12 | N5 | 165.0° | 160.9° |
| N4 | C11 | C12 | C13 | 74.9° | 79.1° |
| C11 | N4 | C22 | C6 | 90.7° | 137.9° |
| C11 | N4 | C10 | H12 | 116.8° | 150.7° |
| C11 | N4 | C10 | H11 | 2.2° | 30.7° |
| C11 | N4 | C22 | H23 | 149.0° | 17.2° |
| C11 | N4 | C22 | H24 | 29.6° | 101.4° |
| N4 | C11 | C12 | H2 | 44.7° | 40.9° |
| O4 | C11 | C12 | N5 | 15.0° | 19.1° |
| O4 | C11 | C12 | C13 | 105.2° | 100.9° |
| O4 | C11 | N4 | C22 | 56.9° | 176.6° |
| O4 | C11 | C12 | H2 | 135.3° | 139.1° |
| C11 | C12 | N5 | C13 | 121.4° | 120.0° |
| C11 | C12 | N5 | H2 | 119.9° | 120.0° |
| C11 | C12 | C13 | H2 | 119.7° | 120.0° |
| C11 | C12 | C13 | C14 | 108.2° | 175.0° |
| C12 | C11 | N4 | C22 | 123.2° | 3.3° |
| C11 | C12 | C13 | H15 | 131.2° | 65.0° |
| C11 | C12 | C13 | H16 | 12.3° | 55.0° |
| C11 | C12 | N5 | H13 | 180.0° | 63.9° |
| C11 | C12 | N5 | H14 | 60.0° | 60.0° |
| N5 | C12 | C13 | H2 | 119.3° | 120.0° |
| N5 | C12 | C13 | C14 | 130.7° | 65.0° |
| N5 | C12 | C13 | H15 | 10.2° | 55.0° |
| N5 | C12 | C13 | H16 | 108.7° | 175.1° |
| C12 | N5 | H13 | H14 | 120.0° | 123.9° |
| C12 | C13 | C14 | H15 | 120.6° | 120.0° |
| C12 | C13 | C14 | H16 | 120.6° | 120.0° |
| C12 | C13 | C14 | C15 | 104.6° | 85.0° |
| C12 | C13 | C14 | C17 | 74.7° | 95.0° |
| C12 | C13 | H15 | H16 | 118.3° | 120.1° |
| C13 | C12 | N5 | H13 | 58.6° | 176.1° |
| C13 | C12 | N5 | H14 | 178.6° | 60.0° |
| C13 | C14 | C15 | C17 | 179.4° | 180.0° |
| C13 | C14 | C15 | C16 | 179.3° | 180.0° |
| C13 | C14 | C17 | N6 | 179.3° | 179.7° |
| C13 | C14 | C15 | C21 | 0.6° | 0.3° |
| C14 | C13 | H15 | H16 | 118.3° | 119.9° |
| C13 | C14 | C17 | H18 | 0.7° | 0.0° |
| C14 | C13 | C12 | H2 | 11.4° | 55.0° |
| C14 | C15 | C16 | C21 | 179.9° | 179.8° |
| C14 | C15 | C16 | N6 | 0.1° | 0.2° |
| C15 | C14 | C17 | N6 | 0.1° | 0.3° |
| C14 | C15 | C16 | C18 | 179.9° | 179.8° |
| C14 | C15 | C21 | C20 | 179.9° | 179.7° |
| C15 | C14 | C13 | H15 | 134.8° | 35.1° |
| C15 | C14 | C13 | H16 | 16.0° | 155.0° |
| C15 | C14 | C17 | H18 | 179.9° | 180.0° |
| C14 | C15 | C21 | H22 | 0.1° | 0.3° |
| C15 | C16 | N6 | C18 | 180.0° | 180.0° |
| C15 | C16 | N6 | C17 | 0.1° | 0.4° |
| C16 | C15 | C14 | C17 | 0.1° | 0.0° |
| C15 | C16 | C18 | C19 | 0.1° | 0.1° |
| C16 | C15 | C21 | C20 | 0.0° | 0.0° |
| C16 | C15 | C21 | H22 | 180.0° | 180.0° |
| C15 | C16 | C18 | H19 | 180.0° | 180.0° |
| C15 | C16 | N6 | H17 | 179.9° | 180.0° |
| C16 | N6 | C17 | H17 | 180.0° | 179.6° |
| C16 | N6 | C17 | C14 | 0.0° | 0.4° |
| N6 | C16 | C18 | C19 | 180.0° | 180.0° |
| N6 | C16 | C15 | C21 | 179.9° | 180.0° |
| C16 | N6 | C17 | H18 | 179.9° | 179.8° |
| N6 | C16 | C18 | H19 | 0.0° | 0.1° |
| N6 | C17 | C14 | H18 | 180.0° | 179.7° |
| C17 | N6 | C16 | C18 | 180.0° | 179.6° |
| C17 | C14 | C15 | C21 | 179.9° | 179.7° |
| C17 | C14 | C13 | H15 | 45.8° | 144.9° |
| C17 | C14 | C13 | H16 | 164.7° | 25.0° |
| C14 | C17 | N6 | H17 | 180.0° | 180.0° |
| C16 | C18 | C19 | H19 | 180.0° | 179.9° |
| C16 | C18 | C19 | C20 | 0.1° | 0.1° |
| C18 | C16 | C15 | C21 | 0.0° | 0.0° |
| C16 | C18 | C19 | H20 | 179.9° | 180.0° |
| C18 | C16 | N6 | H17 | 0.0° | 0.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C18 | C19 | C20 | H21 | 179.9° | 179.9° |
| C19 | C20 | C21 | H21 | 180.0° | 179.8° |
| C19 | C20 | C21 | C15 | 0.1° | 0.1° |
| C19 | C20 | C21 | H22 | 180.0° | 180.0° |
| C20 | C19 | C18 | H19 | 179.9° | 180.0° |
| C20 | C21 | C15 | H22 | 180.0° | 180.0° |
| C21 | C20 | C19 | H20 | 179.9° | 180.0° |
| C15 | C21 | C20 | H21 | 179.9° | 179.9° |
| N4 | C22 | C6 | H23 | 120.3° | 120.7° |
| N4 | C22 | C6 | H24 | 120.3° | 120.7° |
| N4 | C22 | C6 | H | 17.6° | 160.7° |
| C22 | N4 | C10 | H12 | 66.0° | 29.3° |
| C22 | N4 | C10 | H11 | 175.0° | 149.2° |
| N4 | C22 | H23 | H24 | 119.2° | 118.6° |
| C22 | C6 | C7 | C23 | 93.3° | 148.2° |
| C6 | C22 | H23 | H24 | 119.1° | 118.7° |
| C23 | C7 | C6 | H | 155.2° | 28.1° |
| C23 | C7 | C8 | H8 | 54.4° | 83.8° |
| C23 | C7 | C8 | H9 | 62.5° | 33.8° |
| C7 | C23 | H25 | H27 | 120.0° | 120.0° |
| C7 | C23 | H25 | H26 | 120.0° | 120.0° |
| C7 | C23 | H27 | H26 | 120.0° | 120.1° |
| C23 | C7 | O2 | H7 | 57.3° | 59.9° |
| N | C24 | H28 | H30 | 120.0° | 120.0° |
| N | C24 | H28 | H29 | 120.0° | 120.0° |
| N | C24 | H30 | H29 | 120.0° | 120.0° |
| H6 | C5 | H5 | H4 | 120.0° | 120.0° |
| H | C6 | C22 | H23 | 137.9° | 40.0° |
| H | C6 | C22 | H24 | 102.7° | 78.6° |
| H8 | C8 | C9 | H1 | 85.9° | 61.9° |
| H9 | C8 | C9 | H1 | 31.0° | 55.7° |
| H12 | C10 | C9 | H1 | 58.7° | 71.6° |
| H11 | C10 | C9 | H1 | 60.2° | 48.4° |
| H15 | C13 | C12 | H2 | 109.1° | 175.0° |
| H16 | C13 | C12 | H2 | 132.0° | 65.0° |
| H18 | C17 | N6 | H17 | 0.1° | 0.2° |
| H21 | C20 | C21 | H22 | 0.0° | 0.1° |
| H21 | C20 | C19 | H20 | 0.1° | 0.1° |
| H28 | C24 | H30 | H29 | 120.0° | 120.0° |
| H2 | C12 | N5 | H13 | 60.1° | 56.1° |
| H2 | C12 | N5 | H14 | 59.9° | 180.0° |
| H19 | C18 | C19 | H20 | 0.1° | 0.1° |
| H25 | C23 | H27 | H26 | 120.0° | 119.9° |
| H1 | C9 | O3 | H10 | 63.0° | 65.1° |
