Obsolete: HEK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C3 | doub | 1.21Å | 1.23Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | N | sing | 1.46Å | 1.45Å | |
| C3 | N1 | sing | 1.35Å | 1.34Å | |
| O | C1 | doub | 1.21Å | 1.23Å | |
| N | C1 | sing | 1.35Å | 1.34Å | |
| C1 | C24 | sing | 1.51Å | 1.50Å | |
| N1 | C4 | sing | 1.46Å | 1.46Å | |
| C4 | C | sing | 1.51Å | 1.56Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N4 | N3 | doub | 1.29Å | 1.31Å | Aromatic |
| N4 | N2 | sing | 1.29Å | 1.35Å | Aromatic |
| C | O7 | doub | 1.21Å | 1.20Å | |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| N3 | C7 | sing | 1.35Å | 1.36Å | Aromatic |
| N2 | C6 | sing | 1.35Å | 1.34Å | Aromatic |
| O6 | C23 | doub | 1.22Å | 1.23Å | |
| C7 | C6 | doub | 1.36Å | 1.37Å | Aromatic |
| C7 | C8 | sing | 1.48Å | 1.47Å | |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C23 | C10 | sing | 1.48Å | 1.49Å | |
| C23 | O5 | sing | 1.35Å | 1.31Å | |
| C8 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C14 | sing | 1.48Å | 1.48Å | |
| C14 | N11 | sing | 1.35Å | 1.36Å | Aromatic |
| C14 | C15 | doub | 1.37Å | 1.37Å | Aromatic |
| N11 | N10 | doub | 1.29Å | 1.31Å | Aromatic |
| C15 | N5 | sing | 1.35Å | 1.34Å | Aromatic |
| N10 | N5 | sing | 1.29Å | 1.34Å | Aromatic |
| N5 | C16 | sing | 1.46Å | 1.46Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| N6 | C17 | sing | 1.47Å | 1.48Å | |
| C17 | C18 | sing | 1.51Å | 1.56Å | |
| C18 | O2 | doub | 1.21Å | 1.23Å | |
| C18 | N7 | sing | 1.35Å | 1.33Å | |
| N7 | C19 | sing | 1.46Å | 1.45Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C20 | O3 | doub | 1.21Å | 1.23Å | |
| C20 | N8 | sing | 1.35Å | 1.33Å | |
| N8 | C21 | sing | 1.46Å | 1.45Å | |
| C21 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | O4 | doub | 1.21Å | 1.23Å | |
| C22 | N9 | sing | 1.35Å | 1.32Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| N1 | H9 | sing | 0.97Å | 1.00Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| C24 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| N6 | H16 | sing | 1.01Å | 1.00Å | |
| N6 | H17 | sing | 1.01Å | 1.00Å | |
| N7 | H19 | sing | 0.97Å | 1.00Å | |
| N8 | H20 | sing | 0.97Å | 1.00Å | |
| N9 | H21 | sing | 0.97Å | 1.00Å | |
| N9 | H22 | sing | 0.97Å | 1.00Å | |
| C15 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.09Å | 1.10Å | |
| C | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C3 | C2 | 120.5° | 120.0° |
| O1 | C3 | N1 | 122.9° | 120.0° |
| C3 | C2 | N | 117.6° | 109.5° |
| C2 | C3 | N1 | 116.7° | 120.0° |
| C3 | C2 | H1 | 107.4° | 109.5° |
| C3 | C2 | H2 | 107.4° | 109.5° |
| C2 | N | C1 | 121.5° | 120.0° |
| N | C2 | H1 | 107.4° | 109.5° |
| N | C2 | H2 | 107.4° | 109.5° |
| C2 | N | H12 | 119.3° | 120.0° |
| C3 | N1 | C4 | 122.1° | 120.0° |
| C3 | N1 | H9 | 118.9° | 120.0° |
| O | C1 | N | 122.1° | 120.0° |
| O | C1 | C24 | 121.8° | 120.0° |
| N | C1 | C24 | 116.1° | 120.0° |
| C1 | N | H12 | 119.2° | 120.0° |
| C1 | C24 | H13 | 109.5° | 109.5° |
| C1 | C24 | H14 | 109.5° | 109.4° |
| C1 | C24 | H15 | 109.5° | 109.5° |
| N1 | C4 | C | 112.0° | 109.5° |
| N1 | C4 | C5 | 111.8° | 109.5° |
| N1 | C4 | H5 | 107.1° | 109.5° |
| C4 | N1 | H9 | 118.9° | 120.0° |
| C | C4 | C5 | 113.0° | 109.4° |
| C4 | C | O7 | 118.4° | 120.0° |
| C | C4 | H5 | 106.0° | 109.5° |
| C4 | C | H31 | 120.8° | 120.1° |
| C4 | C5 | N2 | 108.8° | 109.5° |
| C4 | C5 | H3 | 109.6° | 109.5° |
| C4 | C5 | H4 | 109.6° | 109.5° |
| C5 | C4 | H5 | 106.3° | 109.4° |
| N3 | N4 | N2 | 107.0° | 110.5° |
| N4 | N3 | C7 | 109.2° | 108.8° |
| N4 | N2 | C5 | 120.6° | 125.8° |
| N4 | N2 | C6 | 111.0° | 108.5° |
| O7 | C | H31 | 120.8° | 119.9° |
| C5 | N2 | C6 | 128.4° | 125.7° |
| N2 | C5 | H3 | 109.6° | 109.5° |
| N2 | C5 | H4 | 109.6° | 109.5° |
| N3 | C7 | C6 | 107.8° | 106.2° |
| N3 | C7 | C8 | 122.2° | 126.9° |
| N2 | C6 | C7 | 105.1° | 106.0° |
| N2 | C6 | H11 | 127.4° | 126.9° |
| O6 | C23 | C10 | 121.9° | 120.0° |
| O6 | C23 | O5 | 122.9° | 120.0° |
| C6 | C7 | C8 | 130.0° | 126.9° |
| C7 | C6 | H11 | 127.5° | 127.0° |
| C7 | C8 | C9 | 120.1° | 120.0° |
| C7 | C8 | C13 | 120.1° | 120.0° |
| C8 | C9 | C10 | 120.3° | 119.9° |
| C9 | C8 | C13 | 119.7° | 120.0° |
| C8 | C9 | H8 | 119.8° | 120.0° |
| C9 | C10 | C23 | 119.9° | 120.0° |
| C9 | C10 | C11 | 119.7° | 119.9° |
| C10 | C9 | H8 | 119.9° | 120.1° |
| C10 | C23 | O5 | 115.2° | 120.0° |
| C23 | C10 | C11 | 120.4° | 120.1° |
| C23 | O5 | H10 | 109.5° | 117.0° |
| C8 | C13 | C12 | 120.3° | 120.1° |
| C8 | C13 | H7 | 119.8° | 119.9° |
| C10 | C11 | C12 | 120.2° | 120.0° |
| C10 | C11 | H6 | 119.9° | 120.0° |
| C13 | C12 | C11 | 119.7° | 120.0° |
| C13 | C12 | C14 | 120.0° | 120.0° |
| C12 | C13 | H7 | 119.8° | 120.0° |
| C11 | C12 | C14 | 120.3° | 120.0° |
| C12 | C11 | H6 | 119.9° | 120.0° |
| C12 | C14 | N11 | 122.2° | 126.9° |
| C12 | C14 | C15 | 130.0° | 126.9° |
| N11 | C14 | C15 | 107.8° | 106.2° |
| C14 | N11 | N10 | 109.1° | 108.8° |
| C14 | C15 | N5 | 105.1° | 106.1° |
| C14 | C15 | H23 | 127.5° | 127.0° |
| N11 | N10 | N5 | 107.0° | 110.5° |
| C15 | N5 | N10 | 111.0° | 108.5° |
| C15 | N5 | C16 | 128.5° | 125.8° |
| N5 | C15 | H23 | 127.5° | 127.0° |
| N10 | N5 | C16 | 120.5° | 125.8° |
| N5 | C16 | C17 | 113.2° | 109.5° |
| N5 | C16 | H24 | 108.5° | 109.5° |
| N5 | C16 | H25 | 108.5° | 109.5° |
| C16 | C17 | N6 | 112.8° | 109.5° |
| C16 | C17 | C18 | 108.0° | 109.5° |
| C17 | C16 | H24 | 108.5° | 109.5° |
| C17 | C16 | H25 | 108.5° | 109.5° |
| C16 | C17 | H26 | 107.3° | 109.5° |
| N6 | C17 | C18 | 113.6° | 109.5° |
| C17 | N6 | H16 | 109.5° | 111.0° |
| C17 | N6 | H17 | 109.5° | 111.0° |
| N6 | C17 | H26 | 107.9° | 109.5° |
| C17 | C18 | O2 | 120.5° | 120.0° |
| C17 | C18 | N7 | 115.8° | 120.0° |
| C18 | C17 | H26 | 107.0° | 109.4° |
| O2 | C18 | N7 | 123.6° | 120.0° |
| C18 | N7 | C19 | 122.6° | 120.0° |
| C18 | N7 | H19 | 118.7° | 120.0° |
| N7 | C19 | C20 | 115.7° | 109.5° |
| C19 | N7 | H19 | 118.7° | 120.0° |
| N7 | C19 | H27 | 107.9° | 109.4° |
| N7 | C19 | H28 | 107.9° | 109.5° |
| C19 | C20 | O3 | 121.0° | 120.0° |
| C19 | C20 | N8 | 115.4° | 120.0° |
| C20 | C19 | H27 | 107.9° | 109.5° |
| C20 | C19 | H28 | 107.9° | 109.5° |
| O3 | C20 | N8 | 123.5° | 120.0° |
| C20 | N8 | C21 | 121.9° | 120.0° |
| C20 | N8 | H20 | 119.1° | 120.0° |
| N8 | C21 | C22 | 112.5° | 109.4° |
| C21 | N8 | H20 | 119.0° | 120.0° |
| N8 | C21 | H29 | 108.7° | 109.5° |
| N8 | C21 | H30 | 108.7° | 109.5° |
| C21 | C22 | O4 | 119.9° | 120.0° |
| C21 | C22 | N9 | 117.1° | 120.0° |
| C22 | C21 | H29 | 108.7° | 109.4° |
| C22 | C21 | H30 | 108.7° | 109.5° |
| O4 | C22 | N9 | 123.1° | 120.0° |
| C22 | N9 | H21 | 120.0° | 120.0° |
| C22 | N9 | H22 | 120.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H13 | C24 | H14 | 109.4° | 109.5° |
| H13 | C24 | H15 | 109.5° | 109.6° |
| H14 | C24 | H15 | 109.5° | 109.4° |
| H16 | N6 | H17 | 109.5° | 111.0° |
| H21 | N9 | H22 | 120.0° | 120.0° |
| H24 | C16 | H25 | 109.5° | 109.5° |
| H27 | C19 | H28 | 109.5° | 109.5° |
| H29 | C21 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C3 | C2 | N1 | 179.4° | 180.0° |
| O1 | C3 | C2 | N | 161.7° | 0.0° |
| O1 | C3 | N1 | C4 | 15.5° | 0.1° |
| O1 | C3 | C2 | H1 | 77.2° | 120.0° |
| O1 | C3 | C2 | H2 | 40.5° | 120.0° |
| O1 | C3 | N1 | H9 | 164.5° | 180.0° |
| C3 | C2 | N | H1 | 121.2° | 120.0° |
| C3 | C2 | N | H2 | 121.2° | 120.0° |
| C3 | C2 | N | C1 | 141.2° | 180.0° |
| C2 | C3 | N1 | C4 | 163.9° | 180.0° |
| C3 | C2 | H1 | H2 | 116.4° | 120.0° |
| C2 | C3 | N1 | H9 | 16.1° | 0.0° |
| C3 | C2 | N | H12 | 38.8° | 0.1° |
| N | C2 | C3 | N1 | 17.7° | 180.0° |
| C2 | N | C1 | O | 0.4° | 0.1° |
| C2 | N | C1 | H12 | 180.0° | 179.9° |
| C2 | N | C1 | C24 | 179.9° | 180.0° |
| N | C2 | H1 | H2 | 116.3° | 120.0° |
| C3 | N1 | C4 | H9 | 180.0° | 179.9° |
| C3 | N1 | C4 | C | 114.1° | 85.0° |
| C3 | N1 | C4 | C5 | 117.9° | 155.0° |
| N1 | C3 | C2 | H1 | 103.4° | 60.0° |
| N1 | C3 | C2 | H2 | 138.9° | 60.0° |
| C3 | N1 | C4 | H5 | 1.8° | 35.0° |
| O | C1 | N | C24 | 179.7° | 180.0° |
| O | C1 | N | H12 | 179.6° | 179.9° |
| O | C1 | C24 | H13 | 0.0° | 89.9° |
| O | C1 | C24 | H14 | 120.0° | 30.0° |
| O | C1 | C24 | H15 | 120.0° | 150.0° |
| C1 | N | C2 | H1 | 20.0° | 60.0° |
| C1 | N | C2 | H2 | 97.7° | 59.9° |
| N | C1 | C24 | H13 | 179.7° | 90.0° |
| N | C1 | C24 | H14 | 60.3° | 150.0° |
| N | C1 | C24 | H15 | 59.7° | 30.1° |
| C24 | C1 | N | H12 | 0.1° | 0.1° |
| C1 | C24 | H13 | H14 | 120.0° | 119.9° |
| C1 | C24 | H13 | H15 | 120.0° | 120.0° |
| C1 | C24 | H14 | H15 | 120.0° | 120.0° |
| N1 | C4 | C | C5 | 127.4° | 120.0° |
| N1 | C4 | C | H5 | 116.5° | 120.0° |
| N1 | C4 | C5 | H5 | 116.6° | 120.0° |
| N1 | C4 | C | O7 | 156.1° | 0.0° |
| N1 | C4 | C5 | N2 | 175.2° | 65.0° |
| N1 | C4 | C5 | H3 | 55.3° | 175.0° |
| N1 | C4 | C5 | H4 | 64.9° | 55.0° |
| N1 | C4 | C | H31 | 23.9° | 180.0° |
| C | C4 | C5 | H5 | 115.9° | 120.0° |
| C4 | C | O7 | H31 | 180.0° | 180.0° |
| C | C4 | C5 | N2 | 57.3° | 175.0° |
| C | C4 | C5 | H3 | 177.2° | 55.0° |
| C | C4 | C5 | H4 | 62.6° | 65.0° |
| C | C4 | N1 | H9 | 65.9° | 95.0° |
| C4 | C5 | N2 | N4 | 61.0° | 55.3° |
| C5 | C4 | C | O7 | 76.5° | 120.0° |
| C4 | C5 | N2 | H3 | 119.9° | 120.0° |
| C4 | C5 | N2 | H4 | 119.9° | 120.0° |
| C4 | C5 | N2 | C6 | 115.3° | 125.0° |
| C4 | C5 | H3 | H4 | 120.3° | 120.0° |
| C5 | C4 | N1 | H9 | 62.1° | 24.9° |
| C5 | C4 | C | H31 | 103.5° | 60.0° |
| N3 | N4 | N2 | C5 | 176.2° | 179.7° |
| N3 | N4 | N2 | C6 | 0.7° | 0.0° |
| N4 | N3 | C7 | C6 | 0.5° | 0.4° |
| N4 | N3 | C7 | C8 | 177.3° | 180.0° |
| N4 | N2 | C5 | C6 | 176.3° | 179.7° |
| N2 | N4 | N3 | C7 | 0.7° | 0.3° |
| N4 | N2 | C6 | C7 | 0.3° | 0.3° |
| N4 | N2 | C5 | H3 | 58.9° | 64.7° |
| N4 | N2 | C5 | H4 | 179.2° | 175.3° |
| N4 | N2 | C6 | H11 | 179.6° | 179.8° |
| O7 | C | C4 | H5 | 39.6° | 120.0° |
| C5 | N2 | C6 | C7 | 176.2° | 180.0° |
| N2 | C5 | H3 | H4 | 120.3° | 120.0° |
| N2 | C5 | C4 | H5 | 58.6° | 55.0° |
| C5 | N2 | C6 | H11 | 3.8° | 0.1° |
| N3 | C7 | C6 | N2 | 0.1° | 0.4° |
| N3 | C7 | C6 | C8 | 177.6° | 179.6° |
| N3 | C7 | C8 | C9 | 0.4° | 175.1° |
| N3 | C7 | C8 | C13 | 177.6° | 5.0° |
| N3 | C7 | C6 | H11 | 179.9° | 179.6° |
| N2 | C6 | C7 | H11 | 180.0° | 180.0° |
| N2 | C6 | C7 | C8 | 177.5° | 180.0° |
| C6 | N2 | C5 | H3 | 124.8° | 115.0° |
| C6 | N2 | C5 | H4 | 4.6° | 5.0° |
| O6 | C23 | C10 | C9 | 4.0° | 179.8° |
| O6 | C23 | C10 | O5 | 179.0° | 179.9° |
| O6 | C23 | C10 | C11 | 177.3° | 0.1° |
| O6 | C23 | O5 | H10 | 0.0° | 0.1° |
| C6 | C7 | C8 | C9 | 176.9° | 4.5° |
| C6 | C7 | C8 | C13 | 0.3° | 175.5° |
| C7 | C8 | C9 | C13 | 177.2° | 180.0° |
| C7 | C8 | C9 | C10 | 176.6° | 180.0° |
| C7 | C8 | C13 | C12 | 175.9° | 179.9° |
| C7 | C8 | C13 | H7 | 4.1° | 0.1° |
| C7 | C8 | C9 | H8 | 3.4° | 0.0° |
| C8 | C7 | C6 | H11 | 2.5° | 0.0° |
| C8 | C9 | C10 | H8 | 180.0° | 180.0° |
| C8 | C9 | C10 | C23 | 178.5° | 179.7° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C9 | C8 | C13 | C12 | 1.3° | 0.0° |
| C9 | C8 | C13 | H7 | 178.7° | 179.9° |
| C9 | C10 | C23 | C11 | 178.7° | 179.7° |
| C9 | C10 | C23 | O5 | 177.0° | 0.4° |
| C10 | C9 | C8 | C13 | 0.6° | 0.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C9 | C10 | C11 | H6 | 179.9° | 180.0° |
| C23 | C10 | C11 | C12 | 178.6° | 179.7° |
| C23 | C10 | C11 | H6 | 1.4° | 0.3° |
| C23 | C10 | C9 | H8 | 1.5° | 0.4° |
| C10 | C23 | O5 | H10 | 179.0° | 180.0° |
| O5 | C23 | C10 | C11 | 1.7° | 180.0° |
| C8 | C13 | C12 | H7 | 180.0° | 179.9° |
| C8 | C13 | C12 | C11 | 1.4° | 0.0° |
| C8 | C13 | C12 | C14 | 176.7° | 180.0° |
| C13 | C8 | C9 | H8 | 179.5° | 180.0° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C10 | C11 | C12 | H6 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 177.4° | 180.0° |
| C11 | C10 | C9 | H8 | 179.8° | 180.0° |
| C13 | C12 | C11 | C14 | 178.1° | 180.0° |
| C13 | C12 | C14 | N11 | 6.2° | 5.0° |
| C13 | C12 | C14 | C15 | 174.0° | 174.7° |
| C13 | C12 | C11 | H6 | 179.4° | 180.0° |
| C11 | C12 | C14 | N11 | 171.9° | 175.0° |
| C11 | C12 | C14 | C15 | 7.9° | 5.3° |
| C11 | C12 | C13 | H7 | 178.7° | 179.9° |
| C12 | C14 | N11 | C15 | 179.8° | 179.8° |
| C12 | C14 | N11 | N10 | 179.7° | 179.9° |
| C12 | C14 | C15 | N5 | 179.9° | 179.9° |
| C14 | C12 | C11 | H6 | 2.6° | 0.0° |
| C14 | C12 | C13 | H7 | 3.3° | 0.1° |
| C12 | C14 | C15 | H23 | 0.1° | 0.1° |
| N11 | C14 | C15 | N5 | 0.1° | 0.4° |
| C14 | N11 | N10 | N5 | 0.2° | 0.1° |
| N11 | C14 | C15 | H23 | 179.9° | 179.7° |
| C15 | C14 | N11 | N10 | 0.1° | 0.3° |
| C14 | C15 | N5 | H23 | 180.0° | 179.9° |
| C14 | C15 | N5 | N10 | 0.2° | 0.3° |
| C14 | C15 | N5 | C16 | 179.2° | 179.9° |
| N11 | N10 | N5 | C15 | 0.3° | 0.2° |
| N11 | N10 | N5 | C16 | 179.4° | 179.9° |
| C15 | N5 | N10 | C16 | 179.1° | 179.8° |
| C15 | N5 | C16 | C17 | 88.4° | 124.7° |
| C15 | N5 | C16 | H24 | 32.1° | 115.3° |
| C15 | N5 | C16 | H25 | 151.0° | 4.7° |
| N10 | N5 | C16 | C17 | 92.7° | 55.0° |
| N10 | N5 | C15 | H23 | 179.8° | 179.7° |
| N10 | N5 | C16 | H24 | 146.8° | 65.0° |
| N10 | N5 | C16 | H25 | 27.9° | 175.0° |
| N5 | C16 | C17 | H24 | 120.5° | 120.0° |
| N5 | C16 | C17 | H25 | 120.5° | 120.0° |
| N5 | C16 | C17 | N6 | 38.3° | 65.0° |
| N5 | C16 | C17 | C18 | 164.6° | 175.0° |
| C16 | N5 | C15 | H23 | 0.8° | 0.0° |
| N5 | C16 | H24 | H25 | 118.3° | 120.0° |
| N5 | C16 | C17 | H26 | 80.4° | 55.0° |
| C16 | C17 | N6 | C18 | 123.3° | 120.0° |
| C16 | C17 | N6 | H26 | 118.3° | 120.0° |
| C16 | C17 | C18 | H26 | 115.2° | 120.0° |
| C16 | C17 | C18 | O2 | 48.4° | 100.0° |
| C16 | C17 | C18 | N7 | 129.0° | 80.0° |
| C16 | C17 | N6 | H16 | 180.0° | 60.0° |
| C16 | C17 | N6 | H17 | 60.0° | 64.0° |
| C17 | C16 | H24 | H25 | 118.3° | 120.0° |
| N6 | C17 | C18 | H26 | 118.9° | 120.0° |
| N6 | C17 | C18 | O2 | 77.5° | 20.0° |
| N6 | C17 | C18 | N7 | 105.1° | 160.0° |
| C17 | N6 | H16 | H17 | 120.0° | 124.0° |
| N6 | C17 | C16 | H24 | 158.8° | 175.0° |
| N6 | C17 | C16 | H25 | 82.2° | 55.0° |
| C17 | C18 | O2 | N7 | 177.2° | 180.0° |
| C17 | C18 | N7 | C19 | 162.7° | 180.0° |
| C18 | C17 | N6 | H16 | 56.7° | 60.0° |
| C18 | C17 | N6 | H17 | 63.3° | 176.0° |
| C17 | C18 | N7 | H19 | 17.4° | 0.0° |
| C18 | C17 | C16 | H24 | 74.8° | 55.0° |
| C18 | C17 | C16 | H25 | 44.1° | 65.0° |
| O2 | C18 | N7 | C19 | 14.7° | 0.0° |
| O2 | C18 | N7 | H19 | 165.3° | 180.0° |
| O2 | C18 | C17 | H26 | 163.6° | 140.0° |
| C18 | N7 | C19 | H19 | 180.0° | 180.0° |
| C18 | N7 | C19 | C20 | 78.7° | 180.0° |
| N7 | C18 | C17 | H26 | 13.8° | 40.0° |
| C18 | N7 | C19 | H27 | 160.4° | 60.0° |
| C18 | N7 | C19 | H28 | 42.1° | 60.0° |
| N7 | C19 | C20 | H27 | 120.9° | 120.0° |
| N7 | C19 | C20 | H28 | 120.9° | 120.0° |
| N7 | C19 | C20 | O3 | 57.6° | 0.0° |
| N7 | C19 | C20 | N8 | 125.8° | 180.0° |
| N7 | C19 | H27 | H28 | 117.2° | 120.0° |
| C19 | C20 | O3 | N8 | 176.3° | 180.0° |
| C19 | C20 | N8 | C21 | 147.3° | 180.0° |
| C20 | C19 | N7 | H19 | 101.2° | 0.0° |
| C19 | C20 | N8 | H20 | 32.8° | 0.0° |
| C20 | C19 | H27 | H28 | 117.2° | 120.0° |
| O3 | C20 | N8 | C21 | 29.3° | 0.1° |
| O3 | C20 | N8 | H20 | 150.7° | 180.0° |
| O3 | C20 | C19 | H27 | 178.5° | 120.0° |
| O3 | C20 | C19 | H28 | 63.3° | 120.0° |
| C20 | N8 | C21 | H20 | 180.0° | 179.9° |
| C20 | N8 | C21 | C22 | 77.7° | 180.0° |
| N8 | C20 | C19 | H27 | 4.9° | 60.0° |
| N8 | C20 | C19 | H28 | 113.3° | 60.0° |
| C20 | N8 | C21 | H29 | 42.7° | 60.1° |
| C20 | N8 | C21 | H30 | 161.8° | 60.0° |
| N8 | C21 | C22 | H29 | 120.4° | 120.0° |
| N8 | C21 | C22 | H30 | 120.5° | 120.1° |
| N8 | C21 | C22 | O4 | 92.7° | 0.1° |
| N8 | C21 | C22 | N9 | 85.3° | 180.0° |
| N8 | C21 | H29 | H30 | 118.6° | 120.1° |
| C21 | C22 | O4 | N9 | 177.9° | 179.9° |
| C22 | C21 | N8 | H20 | 102.3° | 0.1° |
| C21 | C22 | N9 | H21 | 178.0° | 0.0° |
| C21 | C22 | N9 | H22 | 2.0° | 180.0° |
| C22 | C21 | H29 | H30 | 118.6° | 120.0° |
| O4 | C22 | N9 | H21 | 0.0° | 180.0° |
| O4 | C22 | N9 | H22 | 180.0° | 0.1° |
| O4 | C22 | C21 | H29 | 27.7° | 120.0° |
| O4 | C22 | C21 | H30 | 146.8° | 120.0° |
| C22 | N9 | H21 | H22 | 180.0° | 180.0° |
| N9 | C22 | C21 | H29 | 154.2° | 60.0° |
| N9 | C22 | C21 | H30 | 35.1° | 60.0° |
| H1 | C2 | N | H12 | 160.0° | 120.1° |
| H2 | C2 | N | H12 | 82.3° | 119.9° |
| H3 | C5 | C4 | H5 | 61.3° | 65.0° |
| H4 | C5 | C4 | H5 | 178.5° | 175.0° |
| H5 | C4 | N1 | H9 | 178.2° | 144.9° |
| H5 | C4 | C | H31 | 140.4° | 60.0° |
| H13 | C24 | H14 | H15 | 120.0° | 120.1° |
| H16 | N6 | C17 | H26 | 61.7° | 180.0° |
| H17 | N6 | C17 | H26 | 178.3° | 56.0° |
| H19 | N7 | C19 | H27 | 19.7° | 120.0° |
| H19 | N7 | C19 | H28 | 137.9° | 120.0° |
| H20 | N8 | C21 | H29 | 137.3° | 120.0° |
| H20 | N8 | C21 | H30 | 18.1° | 120.0° |
| H24 | C16 | C17 | H26 | 40.1° | 65.0° |
| H25 | C16 | C17 | H26 | 159.1° | 175.0° |
