UMU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N12 | C26 | sing | 1.38Å | 1.28Å | |
| N9 | C23 | sing | 1.35Å | 1.28Å | Aromatic |
| N9 | C22 | doub | 1.30Å | 1.28Å | Aromatic |
| C26 | C23 | doub | 1.40Å | 1.35Å | Aromatic |
| C26 | N11 | sing | 1.33Å | 1.28Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.34Å | Aromatic |
| C22 | N8 | sing | 1.36Å | 1.28Å | Aromatic |
| O1 | C7 | sing | 1.43Å | 1.40Å | |
| C7 | C8 | sing | 1.55Å | 1.50Å | |
| C7 | C5 | sing | 1.55Å | 1.48Å | |
| N11 | C25 | doub | 1.32Å | 1.27Å | Aromatic |
| O2 | C8 | sing | 1.43Å | 1.38Å | |
| C24 | N8 | sing | 1.37Å | 1.28Å | Aromatic |
| C24 | N10 | doub | 1.33Å | 1.30Å | Aromatic |
| N8 | C5 | sing | 1.46Å | 1.39Å | |
| C8 | C9 | sing | 1.54Å | 1.48Å | |
| C25 | N10 | sing | 1.32Å | 1.28Å | Aromatic |
| C5 | O3 | sing | 1.44Å | 1.35Å | |
| O3 | C9 | sing | 1.44Å | 1.32Å | |
| C9 | C10 | sing | 1.53Å | 1.45Å | |
| C11 | C12 | sing | 1.53Å | 1.49Å | |
| C10 | O4 | sing | 1.43Å | 1.42Å | |
| C12 | N6 | sing | 1.46Å | 1.44Å | |
| N6 | C13 | sing | 1.35Å | 1.27Å | |
| N3 | C3 | sing | 1.38Å | 1.27Å | |
| O4 | C21 | sing | 1.43Å | 1.44Å | |
| C3 | N1 | doub | 1.33Å | 1.26Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.33Å | Aromatic |
| N4 | C2 | sing | 1.35Å | 1.27Å | Aromatic |
| N4 | C4 | doub | 1.31Å | 1.27Å | Aromatic |
| N1 | C6 | sing | 1.32Å | 1.27Å | Aromatic |
| C2 | C1 | doub | 1.41Å | 1.31Å | Aromatic |
| C13 | N7 | sing | 1.35Å | 1.28Å | |
| C13 | O5 | doub | 1.22Å | 1.19Å | |
| N7 | C14 | sing | 1.47Å | 1.41Å | |
| C19 | C4 | sing | 1.43Å | 1.39Å | |
| C19 | C20 | trip | 1.17Å | 1.17Å | |
| C4 | N5 | sing | 1.37Å | 1.28Å | Aromatic |
| C20 | C21 | sing | 1.47Å | 1.45Å | |
| C6 | N2 | doub | 1.32Å | 1.27Å | Aromatic |
| C1 | N5 | sing | 1.37Å | 1.27Å | Aromatic |
| C1 | N2 | sing | 1.33Å | 1.27Å | Aromatic |
| N5 | C16 | sing | 1.46Å | 1.42Å | |
| O6 | C16 | sing | 1.44Å | 1.34Å | |
| O6 | C15 | sing | 1.44Å | 1.36Å | |
| C14 | C15 | sing | 1.53Å | 1.43Å | |
| C16 | C17 | sing | 1.55Å | 1.50Å | |
| C15 | C18 | sing | 1.54Å | 1.46Å | |
| C17 | C18 | sing | 1.55Å | 1.47Å | |
| C17 | O7 | sing | 1.43Å | 1.38Å | |
| C18 | O8 | sing | 1.43Å | 1.36Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C9 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| N3 | H23 | sing | 0.97Å | 1.00Å | |
| N3 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| N7 | H26 | sing | 0.97Å | 1.00Å | |
| N12 | H27 | sing | 0.97Å | 1.00Å | |
| N12 | H28 | sing | 0.97Å | 1.00Å | |
| O1 | H29 | sing | 0.97Å | 0.95Å | |
| O2 | H30 | sing | 0.97Å | 0.95Å | |
| O7 | H31 | sing | 0.97Å | 0.95Å | |
| O8 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N12 | C26 | C23 | 122.5° | 120.7° |
| N12 | C26 | N11 | 119.2° | 120.8° |
| C26 | N12 | H27 | 109.5° | 120.0° |
| C26 | N12 | H28 | 109.5° | 120.0° |
| C23 | N9 | C22 | 107.5° | 109.5° |
| N9 | C23 | C26 | 134.0° | 134.7° |
| N9 | C23 | C24 | 107.2° | 107.1° |
| N9 | C22 | N8 | 110.8° | 109.9° |
| N9 | C22 | H21 | 124.6° | 125.0° |
| C23 | C26 | N11 | 118.4° | 118.5° |
| C26 | C23 | C24 | 118.8° | 118.2° |
| C26 | N11 | C25 | 121.0° | 121.2° |
| C23 | C24 | N8 | 107.5° | 106.0° |
| C23 | C24 | N10 | 119.7° | 119.1° |
| C22 | N8 | C24 | 107.0° | 107.5° |
| C22 | N8 | C5 | 125.1° | 126.3° |
| N8 | C22 | H21 | 124.6° | 125.0° |
| O1 | C7 | C8 | 110.8° | 110.5° |
| O1 | C7 | C5 | 108.7° | 110.5° |
| O1 | C7 | H3 | 112.3° | 110.6° |
| C7 | O1 | H29 | 109.5° | 113.9° |
| C8 | C7 | C5 | 103.0° | 104.1° |
| C7 | C8 | O2 | 108.0° | 110.5° |
| C7 | C8 | C9 | 98.4° | 104.1° |
| C8 | C7 | H3 | 110.7° | 110.5° |
| C7 | C8 | H4 | 111.8° | 110.5° |
| C7 | C5 | N8 | 106.9° | 110.4° |
| C7 | C5 | O3 | 102.4° | 104.8° |
| C7 | C5 | H1 | 112.1° | 110.4° |
| C5 | C7 | H3 | 110.9° | 110.5° |
| N11 | C25 | N10 | 123.5° | 122.5° |
| N11 | C25 | H22 | 118.3° | 118.8° |
| O2 | C8 | C9 | 111.8° | 110.5° |
| O2 | C8 | H4 | 113.8° | 110.5° |
| C8 | O2 | H30 | 109.5° | 114.0° |
| N8 | C24 | N10 | 132.8° | 134.9° |
| C24 | N8 | C5 | 127.9° | 126.3° |
| C24 | N10 | C25 | 118.7° | 120.6° |
| N8 | C5 | O3 | 106.5° | 110.4° |
| N8 | C5 | H1 | 113.6° | 110.4° |
| C8 | C9 | O3 | 98.4° | 104.8° |
| C8 | C9 | C10 | 118.9° | 110.4° |
| C9 | C8 | H4 | 112.0° | 110.6° |
| C8 | C9 | H5 | 111.6° | 110.4° |
| N10 | C25 | H22 | 118.3° | 118.8° |
| C5 | O3 | C9 | 104.8° | 105.3° |
| O3 | C5 | H1 | 114.5° | 110.4° |
| O3 | C9 | C10 | 99.9° | 110.4° |
| O3 | C9 | H5 | 114.4° | 110.4° |
| C9 | C10 | O4 | 112.9° | 109.5° |
| C10 | C9 | H5 | 112.2° | 110.3° |
| C9 | C10 | H6 | 108.6° | 109.5° |
| C9 | C10 | H7 | 108.6° | 109.5° |
| C11 | C12 | N6 | 105.9° | 109.5° |
| C12 | C11 | H8 | 109.5° | 109.5° |
| C12 | C11 | H9 | 109.4° | 109.4° |
| C12 | C11 | H10 | 109.5° | 109.5° |
| C11 | C12 | H11 | 110.3° | 109.5° |
| C11 | C12 | H12 | 110.4° | 109.5° |
| C10 | O4 | C21 | 123.1° | 114.0° |
| O4 | C10 | H6 | 108.6° | 109.5° |
| O4 | C10 | H7 | 108.6° | 109.4° |
| C12 | N6 | C13 | 124.0° | 120.0° |
| N6 | C12 | H11 | 110.4° | 109.5° |
| N6 | C12 | H12 | 110.4° | 109.5° |
| C12 | N6 | H25 | 118.0° | 120.1° |
| N6 | C13 | N7 | 115.8° | 120.0° |
| N6 | C13 | O5 | 121.2° | 120.0° |
| C13 | N6 | H25 | 118.0° | 119.9° |
| N3 | C3 | N1 | 118.0° | 120.8° |
| N3 | C3 | C2 | 121.6° | 120.8° |
| C3 | N3 | H23 | 109.5° | 120.1° |
| C3 | N3 | H24 | 109.5° | 120.0° |
| O4 | C21 | C20 | 109.9° | 109.5° |
| O4 | C21 | H19 | 109.4° | 109.5° |
| O4 | C21 | H20 | 109.4° | 109.5° |
| N1 | C3 | C2 | 120.4° | 118.4° |
| C3 | N1 | C6 | 118.1° | 121.3° |
| C3 | C2 | N4 | 134.7° | 134.4° |
| C3 | C2 | C1 | 119.5° | 118.1° |
| C2 | N4 | C4 | 109.8° | 109.5° |
| N4 | C2 | C1 | 105.7° | 107.4° |
| N4 | C4 | C19 | 123.6° | 125.3° |
| N4 | C4 | N5 | 108.2° | 109.6° |
| N1 | C6 | N2 | 123.6° | 122.5° |
| N1 | C6 | H2 | 118.2° | 118.8° |
| C2 | C1 | N5 | 109.0° | 106.2° |
| C2 | C1 | N2 | 118.2° | 119.1° |
| N7 | C13 | O5 | 123.0° | 120.0° |
| C13 | N7 | C14 | 122.8° | 120.0° |
| C13 | N7 | H26 | 118.7° | 120.0° |
| N7 | C14 | C15 | 103.6° | 109.5° |
| N7 | C14 | H13 | 110.9° | 109.5° |
| N7 | C14 | H14 | 110.9° | 109.5° |
| C14 | N7 | H26 | 118.6° | 120.0° |
| C4 | C19 | C20 | 175.8° | 179.9° |
| C19 | C4 | N5 | 128.3° | 125.2° |
| C19 | C20 | C21 | 174.2° | 180.0° |
| C4 | N5 | C1 | 107.2° | 107.3° |
| C4 | N5 | C16 | 130.1° | 126.4° |
| C20 | C21 | H19 | 109.3° | 109.5° |
| C20 | C21 | H20 | 109.4° | 109.5° |
| C6 | N2 | C1 | 120.2° | 120.7° |
| N2 | C6 | H2 | 118.2° | 118.8° |
| N5 | C1 | N2 | 132.8° | 134.7° |
| C1 | N5 | C16 | 122.6° | 126.3° |
| N5 | C16 | O6 | 107.3° | 110.5° |
| N5 | C16 | C17 | 114.3° | 110.4° |
| N5 | C16 | H16 | 112.1° | 110.4° |
| C16 | O6 | C15 | 107.7° | 105.3° |
| O6 | C16 | C17 | 98.0° | 104.8° |
| O6 | C16 | H16 | 113.5° | 110.4° |
| O6 | C15 | C14 | 102.7° | 110.4° |
| O6 | C15 | C18 | 106.4° | 104.8° |
| O6 | C15 | H15 | 116.4° | 110.4° |
| C14 | C15 | C18 | 100.2° | 110.4° |
| C15 | C14 | H13 | 110.9° | 109.5° |
| C15 | C14 | H14 | 110.9° | 109.5° |
| C14 | C15 | H15 | 114.9° | 110.4° |
| C16 | C17 | C18 | 98.0° | 104.0° |
| C16 | C17 | O7 | 116.2° | 110.5° |
| C17 | C16 | H16 | 110.9° | 110.4° |
| C16 | C17 | H17 | 110.5° | 110.5° |
| C15 | C18 | C17 | 100.3° | 104.1° |
| C15 | C18 | O8 | 106.0° | 110.5° |
| C18 | C15 | H15 | 114.4° | 110.4° |
| C15 | C18 | H18 | 112.4° | 110.5° |
| C18 | C17 | O7 | 107.9° | 110.5° |
| C17 | C18 | O8 | 110.4° | 110.5° |
| C18 | C17 | H17 | 110.9° | 110.5° |
| C17 | C18 | H18 | 112.4° | 110.5° |
| O7 | C17 | H17 | 112.3° | 110.6° |
| C17 | O7 | H31 | 109.5° | 114.0° |
| O8 | C18 | H18 | 114.2° | 110.6° |
| C18 | O8 | H32 | 109.5° | 114.0° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.4° |
| H8 | C11 | H10 | 109.4° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.4° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H19 | C21 | H20 | 109.4° | 109.4° |
| H23 | N3 | H24 | 109.4° | 119.9° |
| H27 | N12 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N12 | C26 | C23 | N9 | 0.3° | 0.5° |
| N12 | C26 | C23 | N11 | 179.0° | 180.0° |
| N12 | C26 | C23 | C24 | 178.6° | 180.0° |
| N12 | C26 | N11 | C25 | 178.6° | 180.0° |
| C26 | N12 | H27 | H28 | 120.0° | 179.9° |
| N9 | C23 | C26 | C24 | 178.3° | 179.5° |
| N9 | C23 | C26 | N11 | 179.3° | 179.5° |
| C23 | N9 | C22 | N8 | 0.3° | 0.1° |
| N9 | C23 | C24 | N8 | 0.5° | 0.4° |
| N9 | C23 | C24 | N10 | 179.5° | 179.7° |
| C23 | N9 | C22 | H21 | 179.7° | 179.8° |
| C22 | N9 | C23 | C26 | 179.0° | 179.8° |
| C22 | N9 | C23 | C24 | 0.5° | 0.3° |
| N9 | C22 | N8 | H21 | 180.0° | 179.8° |
| N9 | C22 | N8 | C24 | 0.0° | 0.2° |
| N9 | C22 | N8 | C5 | 178.8° | 179.7° |
| C23 | C26 | N11 | C25 | 2.4° | 0.0° |
| C26 | C23 | C24 | N8 | 179.2° | 180.0° |
| C26 | C23 | C24 | N10 | 1.7° | 0.1° |
| C23 | C26 | N12 | H27 | 179.0° | 0.0° |
| C23 | C26 | N12 | H28 | 59.0° | 179.9° |
| N11 | C26 | C23 | C24 | 2.4° | 0.0° |
| C26 | N11 | C25 | N10 | 1.7° | 0.0° |
| C26 | N11 | C25 | H22 | 178.3° | 180.0° |
| N11 | C26 | N12 | H27 | 0.0° | 180.0° |
| N11 | C26 | N12 | H28 | 120.0° | 0.1° |
| C23 | C24 | N8 | C22 | 0.3° | 0.4° |
| C23 | C24 | N8 | N10 | 178.8° | 179.9° |
| C23 | C24 | N8 | C5 | 178.5° | 179.6° |
| C23 | C24 | N10 | C25 | 1.0° | 0.1° |
| C22 | N8 | C5 | C7 | 59.1° | 91.9° |
| C22 | N8 | C24 | C5 | 178.8° | 179.9° |
| C22 | N8 | C24 | N10 | 179.1° | 179.7° |
| C22 | N8 | C5 | O3 | 49.8° | 23.5° |
| C22 | N8 | C5 | H1 | 176.7° | 145.8° |
| O1 | C7 | C8 | C5 | 116.1° | 118.6° |
| O1 | C7 | C8 | H3 | 125.3° | 122.7° |
| O1 | C7 | C5 | H3 | 123.9° | 122.7° |
| O1 | C7 | C8 | O2 | 21.3° | 0.0° |
| O1 | C7 | C5 | N8 | 119.8° | 98.5° |
| O1 | C7 | C8 | C9 | 94.9° | 118.6° |
| O1 | C7 | C5 | O3 | 128.4° | 142.6° |
| O1 | C7 | C5 | H1 | 5.3° | 23.8° |
| O1 | C7 | C8 | H4 | 147.3° | 122.7° |
| C8 | C7 | C5 | H3 | 118.5° | 118.7° |
| C7 | C8 | O2 | C9 | 107.1° | 114.6° |
| C7 | C8 | O2 | H4 | 124.7° | 122.6° |
| C8 | C7 | C5 | N8 | 122.6° | 142.9° |
| C7 | C8 | C9 | H4 | 117.7° | 118.6° |
| C8 | C7 | C5 | O3 | 10.8° | 24.0° |
| C7 | C8 | C9 | O3 | 47.1° | 23.9° |
| C7 | C8 | C9 | C10 | 153.4° | 142.8° |
| C8 | C7 | C5 | H1 | 112.3° | 94.8° |
| C7 | C8 | C9 | H5 | 73.5° | 95.0° |
| C8 | C7 | O1 | H29 | 180.0° | 61.5° |
| C7 | C8 | O2 | H30 | 180.0° | 61.4° |
| C5 | C7 | C8 | O2 | 137.4° | 118.6° |
| C7 | C5 | N8 | C24 | 122.3° | 88.2° |
| C7 | C5 | N8 | O3 | 108.9° | 115.4° |
| C7 | C5 | N8 | H1 | 124.2° | 122.3° |
| C5 | C7 | C8 | C9 | 21.2° | 0.0° |
| C7 | C5 | O3 | H1 | 121.5° | 118.8° |
| C7 | C5 | O3 | C9 | 44.2° | 40.5° |
| C5 | C7 | C8 | H4 | 96.6° | 118.7° |
| C5 | C7 | O1 | H29 | 67.5° | 176.1° |
| N11 | C25 | N10 | C24 | 0.9° | 0.0° |
| N11 | C25 | N10 | H22 | 180.0° | 180.0° |
| O2 | C8 | C9 | H4 | 129.1° | 122.7° |
| O2 | C8 | C9 | O3 | 160.4° | 142.6° |
| O2 | C8 | C9 | C10 | 93.3° | 98.5° |
| O2 | C8 | C7 | H3 | 103.9° | 122.7° |
| O2 | C8 | C9 | H5 | 39.8° | 23.7° |
| N8 | C24 | N10 | C25 | 179.7° | 180.0° |
| C24 | N8 | C5 | O3 | 128.7° | 156.4° |
| C24 | N8 | C5 | H1 | 1.8° | 34.2° |
| C24 | N8 | C22 | H21 | 180.0° | 180.0° |
| N10 | C24 | N8 | C5 | 0.4° | 0.3° |
| C24 | N10 | C25 | H22 | 179.1° | 180.0° |
| N8 | C5 | O3 | H1 | 126.4° | 122.3° |
| N8 | C5 | O3 | C9 | 156.3° | 159.4° |
| N8 | C5 | C7 | H3 | 4.1° | 24.2° |
| C5 | N8 | C22 | H21 | 1.2° | 0.1° |
| C8 | C9 | O3 | C5 | 59.0° | 40.5° |
| C8 | C9 | O3 | C10 | 121.4° | 118.9° |
| C8 | C9 | O3 | H5 | 118.5° | 118.9° |
| C8 | C9 | C10 | H5 | 132.8° | 122.3° |
| C8 | C9 | C10 | O4 | 110.8° | 175.0° |
| C9 | C8 | C7 | H3 | 139.8° | 118.6° |
| C8 | C9 | C10 | H6 | 9.7° | 55.0° |
| C8 | C9 | C10 | H7 | 128.7° | 65.1° |
| C9 | C8 | O2 | H30 | 72.9° | 176.1° |
| C5 | O3 | C9 | C10 | 179.6° | 159.4° |
| O3 | C5 | C7 | H3 | 107.6° | 94.7° |
| C5 | O3 | C9 | H5 | 59.5° | 78.4° |
| O3 | C9 | C10 | H5 | 121.7° | 122.3° |
| O3 | C9 | C10 | O4 | 143.7° | 69.5° |
| C9 | O3 | C5 | H1 | 77.3° | 78.3° |
| O3 | C9 | C8 | H4 | 70.6° | 94.7° |
| O3 | C9 | C10 | H6 | 95.7° | 170.4° |
| O3 | C9 | C10 | H7 | 23.2° | 50.4° |
| C9 | C10 | O4 | H6 | 120.5° | 120.1° |
| C9 | C10 | O4 | H7 | 120.5° | 120.0° |
| C9 | C10 | O4 | C21 | 83.4° | 180.0° |
| C10 | C9 | C8 | H4 | 35.8° | 24.2° |
| C9 | C10 | H6 | H7 | 118.4° | 120.0° |
| C11 | C12 | N6 | H11 | 119.5° | 120.0° |
| C11 | C12 | N6 | H12 | 119.5° | 120.0° |
| C11 | C12 | N6 | C13 | 104.1° | 179.9° |
| C12 | C11 | H8 | H9 | 120.0° | 119.9° |
| C12 | C11 | H8 | H10 | 120.0° | 120.1° |
| C12 | C11 | H9 | H10 | 120.0° | 120.0° |
| C11 | C12 | H11 | H12 | 121.6° | 120.0° |
| C11 | C12 | N6 | H25 | 75.9° | 0.1° |
| C10 | O4 | C21 | C20 | 79.7° | 180.0° |
| O4 | C10 | C9 | H5 | 22.1° | 52.8° |
| O4 | C10 | H6 | H7 | 118.4° | 119.9° |
| C10 | O4 | C21 | H19 | 160.3° | 60.0° |
| C10 | O4 | C21 | H20 | 40.4° | 59.9° |
| C12 | N6 | C13 | H25 | 180.0° | 179.9° |
| C12 | N6 | C13 | N7 | 179.4° | 180.0° |
| C12 | N6 | C13 | O5 | 0.7° | 0.1° |
| N6 | C12 | C11 | H8 | 180.0° | 179.9° |
| N6 | C12 | C11 | H9 | 60.0° | 60.0° |
| N6 | C12 | C11 | H10 | 60.0° | 60.0° |
| N6 | C12 | H11 | H12 | 121.6° | 120.0° |
| N6 | C13 | N7 | O5 | 178.7° | 179.9° |
| N6 | C13 | N7 | C14 | 177.8° | 180.0° |
| C13 | N6 | C12 | H11 | 15.3° | 60.0° |
| C13 | N6 | C12 | H12 | 136.4° | 59.9° |
| N6 | C13 | N7 | H26 | 2.2° | 0.1° |
| N3 | C3 | N1 | C2 | 178.1° | 179.9° |
| N3 | C3 | C2 | N4 | 2.9° | 0.1° |
| N3 | C3 | N1 | C6 | 179.9° | 179.9° |
| N3 | C3 | C2 | C1 | 179.8° | 180.0° |
| C3 | N3 | H23 | H24 | 120.0° | 180.0° |
| O4 | C21 | C20 | C19 | 121.3° | 111.3° |
| O4 | C21 | C20 | H19 | 120.1° | 120.0° |
| O4 | C21 | C20 | H20 | 120.1° | 120.0° |
| C21 | O4 | C10 | H6 | 156.0° | 59.9° |
| C21 | O4 | C10 | H7 | 37.1° | 60.0° |
| O4 | C21 | H19 | H20 | 119.8° | 120.0° |
| N1 | C3 | C2 | N4 | 179.1° | 180.0° |
| N1 | C3 | C2 | C1 | 2.2° | 0.0° |
| C3 | N1 | C6 | N2 | 1.7° | 0.3° |
| C3 | N1 | C6 | H2 | 178.3° | 180.0° |
| N1 | C3 | N3 | H23 | 0.0° | 0.0° |
| N1 | C3 | N3 | H24 | 120.0° | 180.0° |
| C3 | C2 | N4 | C1 | 177.2° | 179.9° |
| C3 | C2 | N4 | C4 | 179.2° | 179.9° |
| C2 | C3 | N1 | C6 | 2.0° | 0.0° |
| C3 | C2 | C1 | N5 | 179.8° | 179.9° |
| C3 | C2 | C1 | N2 | 2.0° | 0.2° |
| C2 | C3 | N3 | H23 | 178.0° | 179.9° |
| C2 | C3 | N3 | H24 | 58.1° | 0.1° |
| C2 | N4 | C4 | C19 | 179.2° | 180.0° |
| C2 | N4 | C4 | N5 | 1.3° | 0.0° |
| N4 | C2 | C1 | N5 | 2.1° | 0.0° |
| N4 | C2 | C1 | N2 | 179.7° | 179.7° |
| C4 | N4 | C2 | C1 | 2.1° | 0.0° |
| N4 | C4 | C19 | N5 | 179.4° | 180.0° |
| N4 | C4 | C19 | C20 | 179.3° | 34.5° |
| N4 | C4 | N5 | C1 | 0.1° | 0.0° |
| N4 | C4 | N5 | C16 | 177.9° | 179.7° |
| N1 | C6 | N2 | H2 | 180.0° | 179.7° |
| N1 | C6 | N2 | C1 | 1.5° | 0.6° |
| C2 | C1 | N5 | C4 | 1.4° | 0.0° |
| C2 | C1 | N2 | C6 | 1.6° | 0.5° |
| C2 | C1 | N5 | N2 | 177.8° | 179.7° |
| C2 | C1 | N5 | C16 | 179.4° | 179.7° |
| C13 | N7 | C14 | H26 | 180.0° | 179.9° |
| C13 | N7 | C14 | C15 | 95.2° | 180.0° |
| C13 | N7 | C14 | H13 | 145.8° | 60.0° |
| C13 | N7 | C14 | H14 | 23.9° | 60.1° |
| N7 | C13 | N6 | H25 | 0.6° | 0.1° |
| O5 | C13 | N7 | C14 | 0.9° | 0.1° |
| O5 | C13 | N6 | H25 | 179.3° | 180.0° |
| O5 | C13 | N7 | H26 | 179.1° | 180.0° |
| N7 | C14 | C15 | O6 | 71.2° | 69.6° |
| N7 | C14 | C15 | H13 | 119.1° | 120.0° |
| N7 | C14 | C15 | H14 | 119.1° | 120.0° |
| N7 | C14 | C15 | C18 | 179.3° | 175.0° |
| N7 | C14 | H13 | H14 | 122.7° | 120.0° |
| N7 | C14 | C15 | H15 | 56.2° | 52.7° |
| C4 | C19 | C20 | C21 | 7.5° | 163.3° |
| C19 | C4 | N5 | C1 | 179.4° | 180.0° |
| C19 | C4 | N5 | C16 | 1.6° | 0.3° |
| C20 | C19 | C4 | N5 | 1.3° | 145.5° |
| C19 | C20 | C21 | H19 | 118.6° | 128.7° |
| C19 | C20 | C21 | H20 | 1.2° | 8.7° |
| C4 | N5 | C1 | C16 | 178.0° | 179.7° |
| C4 | N5 | C1 | N2 | 179.2° | 179.7° |
| C4 | N5 | C16 | O6 | 53.8° | 40.7° |
| C4 | N5 | C16 | C17 | 53.7° | 74.7° |
| C4 | N5 | C16 | H16 | 179.1° | 163.1° |
| C20 | C21 | H19 | H20 | 119.8° | 120.0° |
| C6 | N2 | C1 | N5 | 179.3° | 179.8° |
| C1 | N5 | C16 | O6 | 128.7° | 139.6° |
| C1 | N5 | C16 | C17 | 123.8° | 105.0° |
| C1 | N5 | C16 | H16 | 3.5° | 17.2° |
| N2 | C1 | N5 | C16 | 2.8° | 0.1° |
| C1 | N2 | C6 | H2 | 178.5° | 179.7° |
| N5 | C16 | O6 | C17 | 118.6° | 118.8° |
| N5 | C16 | O6 | H16 | 124.4° | 122.3° |
| N5 | C16 | O6 | C15 | 164.9° | 159.4° |
| N5 | C16 | C17 | H16 | 127.9° | 122.2° |
| N5 | C16 | C17 | C18 | 166.2° | 142.9° |
| N5 | C16 | C17 | O7 | 79.3° | 98.5° |
| N5 | C16 | C17 | H17 | 50.2° | 24.3° |
| C16 | O6 | C15 | C14 | 125.9° | 159.4° |
| O6 | C16 | C17 | H16 | 119.0° | 118.8° |
| C16 | O6 | C15 | C18 | 21.1° | 40.5° |
| O6 | C16 | C17 | C18 | 53.0° | 24.0° |
| O6 | C16 | C17 | O7 | 167.6° | 142.6° |
| C16 | O6 | C15 | H15 | 107.7° | 78.3° |
| O6 | C16 | C17 | H17 | 62.9° | 94.7° |
| O6 | C15 | C14 | C18 | 109.5° | 115.4° |
| O6 | C15 | C14 | H15 | 127.4° | 122.4° |
| C15 | O6 | C16 | C17 | 46.3° | 40.5° |
| O6 | C15 | C18 | H15 | 129.9° | 118.9° |
| O6 | C15 | C18 | C17 | 14.4° | 24.0° |
| O6 | C15 | C18 | O8 | 100.5° | 142.6° |
| O6 | C15 | C14 | H13 | 47.9° | 170.4° |
| O6 | C15 | C14 | H14 | 169.8° | 50.3° |
| C15 | O6 | C16 | H16 | 70.7° | 78.3° |
| O6 | C15 | C18 | H18 | 134.0° | 94.7° |
| C14 | C15 | C18 | H15 | 123.5° | 122.3° |
| C14 | C15 | C18 | C17 | 92.2° | 142.8° |
| C14 | C15 | C18 | O8 | 152.8° | 98.6° |
| C15 | C14 | H13 | H14 | 122.7° | 120.0° |
| C14 | C15 | C18 | H18 | 27.4° | 24.2° |
| C15 | C14 | N7 | H26 | 84.9° | 0.0° |
| C16 | C17 | C18 | C15 | 39.8° | 0.0° |
| C16 | C17 | C18 | O7 | 121.0° | 118.6° |
| C16 | C17 | C18 | H17 | 115.6° | 118.6° |
| C16 | C17 | O7 | H17 | 128.6° | 122.7° |
| C16 | C17 | C18 | O8 | 71.8° | 118.7° |
| C16 | C17 | C18 | H18 | 159.5° | 118.7° |
| C16 | C17 | O7 | H31 | 180.0° | 180.0° |
| C15 | C18 | C17 | O8 | 111.6° | 118.7° |
| C15 | C18 | C17 | H18 | 119.6° | 118.7° |
| C15 | C18 | C17 | O7 | 160.8° | 118.6° |
| C15 | C18 | O8 | H18 | 124.4° | 122.7° |
| C18 | C15 | C14 | H13 | 61.7° | 55.0° |
| C18 | C15 | C14 | H14 | 60.2° | 65.0° |
| C15 | C18 | C17 | H17 | 75.8° | 118.6° |
| C15 | C18 | O8 | H32 | 180.0° | 180.0° |
| C18 | C17 | O7 | H17 | 122.6° | 122.7° |
| C17 | C18 | O8 | H18 | 127.8° | 122.6° |
| C17 | C18 | C15 | H15 | 144.3° | 94.9° |
| C18 | C17 | C16 | H16 | 65.9° | 94.9° |
| C18 | C17 | O7 | H31 | 71.2° | 65.4° |
| C17 | C18 | O8 | H32 | 72.1° | 65.4° |
| O7 | C17 | C18 | O8 | 49.2° | 0.0° |
| O7 | C17 | C16 | H16 | 48.6° | 23.8° |
| O7 | C17 | C18 | H18 | 79.6° | 122.7° |
| O8 | C18 | C15 | H15 | 29.4° | 23.7° |
| O8 | C18 | C17 | H17 | 172.6° | 122.7° |
| H1 | C5 | C7 | H3 | 129.2° | 146.5° |
| H3 | C7 | C8 | H4 | 22.0° | 0.0° |
| H3 | C7 | O1 | H29 | 55.6° | 61.2° |
| H4 | C8 | C9 | H5 | 168.9° | 146.4° |
| H4 | C8 | O2 | H30 | 55.2° | 61.2° |
| H5 | C9 | C10 | H6 | 142.6° | 67.3° |
| H5 | C9 | C10 | H7 | 98.4° | 172.7° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H8 | C11 | C12 | H11 | 60.5° | 59.9° |
| H8 | C11 | C12 | H12 | 60.5° | 60.0° |
| H9 | C11 | C12 | H11 | 59.5° | 60.0° |
| H9 | C11 | C12 | H12 | 179.5° | 180.0° |
| H10 | C11 | C12 | H11 | 179.5° | 180.0° |
| H10 | C11 | C12 | H12 | 59.5° | 60.0° |
| H11 | C12 | N6 | H25 | 164.7° | 120.1° |
| H12 | C12 | N6 | H25 | 43.6° | 120.0° |
| H13 | C14 | C15 | H15 | 175.2° | 67.3° |
| H13 | C14 | N7 | H26 | 34.2° | 120.0° |
| H14 | C14 | C15 | H15 | 62.9° | 172.7° |
| H14 | C14 | N7 | H26 | 156.1° | 120.0° |
| H15 | C15 | C18 | H18 | 96.1° | 146.4° |
| H16 | C16 | C17 | H17 | 178.1° | 146.5° |
| H17 | C17 | C18 | H18 | 43.8° | 0.0° |
| H17 | C17 | O7 | H31 | 51.4° | 57.2° |
| H18 | C18 | O8 | H32 | 55.7° | 57.2° |
