UOL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.51Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| N | C2 | sing | 1.35Å | 1.35Å | |
| C2 | O | doub | 1.22Å | 1.23Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C3 | N1 | sing | 1.46Å | 1.45Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C4 | O1 | sing | 1.44Å | 1.45Å | |
| O1 | C5 | sing | 1.44Å | 1.41Å | |
| C5 | C6 | sing | 1.55Å | 1.52Å | |
| C6 | C7 | sing | 1.55Å | 1.53Å | |
| C7 | C4 | sing | 1.54Å | 1.53Å | |
| O2 | C7 | sing | 1.43Å | 1.42Å | |
| O3 | C6 | sing | 1.43Å | 1.42Å | |
| N2 | C5 | sing | 1.47Å | 1.45Å | |
| N2 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.43Å | 1.40Å | |
| C10 | C9 | trip | 1.17Å | 1.20Å | |
| C11 | C10 | sing | 1.47Å | 1.47Å | |
| N3 | C11 | sing | 1.47Å | 1.46Å | |
| C12 | N3 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | O4 | sing | 1.44Å | 1.44Å | |
| O4 | C14 | sing | 1.44Å | 1.42Å | |
| C14 | C15 | sing | 1.55Å | 1.54Å | |
| C15 | C16 | sing | 1.55Å | 1.54Å | |
| C16 | C13 | sing | 1.54Å | 1.52Å | |
| O5 | C16 | sing | 1.43Å | 1.42Å | |
| O6 | C15 | sing | 1.43Å | 1.42Å | |
| N4 | C14 | sing | 1.46Å | 1.45Å | |
| N4 | C17 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | N5 | doub | 1.30Å | 1.31Å | Aromatic |
| N5 | C18 | sing | 1.35Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.38Å | Aromatic |
| C19 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| N6 | C19 | sing | 1.33Å | 1.34Å | Aromatic |
| C20 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| N7 | C20 | sing | 1.32Å | 1.33Å | Aromatic |
| C21 | N7 | doub | 1.33Å | 1.35Å | Aromatic |
| C18 | C21 | sing | 1.41Å | 1.41Å | Aromatic |
| N8 | C21 | sing | 1.38Å | 1.34Å | |
| C22 | N3 | sing | 1.47Å | 1.44Å | |
| C8 | N9 | doub | 1.31Å | 1.32Å | Aromatic |
| N9 | C23 | sing | 1.35Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.41Å | 1.38Å | Aromatic |
| C24 | N2 | sing | 1.37Å | 1.37Å | Aromatic |
| N10 | C24 | sing | 1.33Å | 1.34Å | Aromatic |
| C25 | N10 | doub | 1.32Å | 1.33Å | Aromatic |
| N11 | C25 | sing | 1.32Å | 1.34Å | Aromatic |
| C26 | N11 | doub | 1.33Å | 1.35Å | Aromatic |
| C23 | C26 | sing | 1.41Å | 1.40Å | Aromatic |
| N12 | C26 | sing | 1.38Å | 1.34Å | |
| C4 | H | sing | 1.09Å | 1.10Å | |
| O2 | H17 | sing | 0.97Å | 0.95Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| O6 | H24 | sing | 0.97Å | 0.95Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| N | H13 | sing | 0.97Å | 1.00Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C16 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| N12 | H34 | sing | 0.97Å | 1.00Å | |
| N12 | H33 | sing | 0.97Å | 1.00Å | |
| N8 | H27 | sing | 0.97Å | 1.00Å | |
| N8 | H28 | sing | 0.97Å | 1.00Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| O5 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | N | 111.7° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H10 | 109.4° | 109.5° |
| C | C1 | H12 | 108.9° | 109.5° |
| C | C1 | H11 | 108.9° | 109.4° |
| C1 | N | C2 | 122.0° | 120.0° |
| C1 | N | H13 | 119.0° | 120.0° |
| N | C1 | H12 | 108.9° | 109.5° |
| N | C1 | H11 | 108.9° | 109.5° |
| N | C2 | O | 122.8° | 120.0° |
| N | C2 | N1 | 115.3° | 120.1° |
| C2 | N | H13 | 119.0° | 120.0° |
| O | C2 | N1 | 121.9° | 120.0° |
| C2 | N1 | C3 | 121.3° | 120.0° |
| C2 | N1 | H14 | 119.4° | 119.9° |
| N1 | C3 | C4 | 114.0° | 109.5° |
| C3 | N1 | H14 | 119.4° | 120.0° |
| N1 | C3 | H16 | 108.3° | 109.4° |
| N1 | C3 | H15 | 108.3° | 109.5° |
| C3 | C4 | O1 | 108.6° | 109.9° |
| C3 | C4 | C7 | 113.7° | 109.9° |
| C3 | C4 | H | 109.3° | 109.9° |
| C4 | C3 | H16 | 108.3° | 109.5° |
| C4 | C3 | H15 | 108.3° | 109.5° |
| C4 | O1 | C5 | 107.8° | 107.0° |
| O1 | C4 | C7 | 105.9° | 107.3° |
| O1 | C4 | H | 110.2° | 109.9° |
| O1 | C5 | C6 | 105.1° | 103.5° |
| O1 | C5 | N2 | 109.9° | 110.7° |
| O1 | C5 | H1 | 108.9° | 110.6° |
| C5 | C6 | C7 | 98.3° | 102.1° |
| C5 | C6 | O3 | 111.4° | 110.9° |
| C6 | C5 | N2 | 116.8° | 110.6° |
| C6 | C5 | H1 | 107.5° | 110.7° |
| C5 | C6 | H2 | 110.0° | 110.9° |
| C6 | C7 | C4 | 102.0° | 104.2° |
| C6 | C7 | O2 | 111.2° | 110.5° |
| C7 | C6 | O3 | 114.9° | 110.9° |
| C7 | C6 | H2 | 110.0° | 110.9° |
| C6 | C7 | H3 | 109.8° | 110.6° |
| C4 | C7 | O2 | 112.6° | 110.5° |
| C7 | C4 | H | 109.1° | 110.0° |
| C4 | C7 | H3 | 109.7° | 110.4° |
| C7 | O2 | H17 | 109.5° | 114.0° |
| O2 | C7 | H3 | 111.2° | 110.4° |
| O3 | C6 | H2 | 111.5° | 110.8° |
| C6 | O3 | H18 | 109.5° | 114.0° |
| C5 | N2 | C8 | 128.9° | 126.3° |
| C5 | N2 | C24 | 125.0° | 126.4° |
| N2 | C5 | H1 | 108.4° | 110.6° |
| N2 | C8 | C9 | 121.4° | 125.2° |
| N2 | C8 | N9 | 113.8° | 109.6° |
| C8 | N2 | C24 | 106.1° | 107.3° |
| C8 | C9 | C10 | 171.5° | 180.0° |
| C9 | C8 | N9 | 124.7° | 125.2° |
| C9 | C10 | C11 | 174.6° | 179.9° |
| C10 | C11 | N3 | 113.4° | 109.5° |
| C10 | C11 | H20 | 108.5° | 109.5° |
| C10 | C11 | H19 | 108.5° | 109.4° |
| C11 | N3 | C12 | 112.8° | 111.0° |
| C11 | N3 | C22 | 110.9° | 111.0° |
| N3 | C11 | H20 | 108.5° | 109.5° |
| N3 | C11 | H19 | 108.4° | 109.5° |
| N3 | C12 | C13 | 109.5° | 109.5° |
| C12 | N3 | C22 | 115.8° | 111.0° |
| N3 | C12 | H21 | 109.5° | 109.4° |
| N3 | C12 | H22 | 109.5° | 109.5° |
| C12 | C13 | O4 | 109.0° | 109.9° |
| C12 | C13 | C16 | 113.1° | 109.9° |
| C13 | C12 | H21 | 109.5° | 109.5° |
| C13 | C12 | H22 | 109.4° | 109.5° |
| C12 | C13 | H4 | 110.1° | 109.9° |
| C13 | O4 | C14 | 106.6° | 107.0° |
| O4 | C13 | C16 | 103.4° | 107.3° |
| O4 | C13 | H4 | 111.1° | 109.9° |
| O4 | C14 | C15 | 107.7° | 103.5° |
| O4 | C14 | N4 | 108.9° | 110.6° |
| O4 | C14 | H5 | 109.4° | 110.7° |
| C14 | C15 | C16 | 103.3° | 102.1° |
| C14 | C15 | O6 | 106.7° | 110.9° |
| C15 | C14 | N4 | 114.1° | 110.6° |
| C15 | C14 | H5 | 107.8° | 110.7° |
| C14 | C15 | H6 | 111.0° | 110.9° |
| C15 | C16 | C13 | 102.3° | 104.2° |
| C15 | C16 | O5 | 113.5° | 110.5° |
| C16 | C15 | O6 | 111.7° | 110.9° |
| C16 | C15 | H6 | 110.9° | 111.0° |
| C15 | C16 | H7 | 109.8° | 110.5° |
| C13 | C16 | O5 | 109.6° | 110.5° |
| C16 | C13 | H4 | 109.9° | 110.0° |
| C13 | C16 | H7 | 109.9° | 110.5° |
| O5 | C16 | H7 | 111.4° | 110.5° |
| C16 | O5 | H23 | 109.5° | 114.0° |
| C15 | O6 | H24 | 109.5° | 113.9° |
| O6 | C15 | H6 | 112.8° | 110.8° |
| C14 | N4 | C17 | 127.6° | 126.3° |
| C14 | N4 | C19 | 126.4° | 126.2° |
| N4 | C14 | H5 | 108.9° | 110.6° |
| N4 | C17 | N5 | 113.9° | 110.0° |
| C17 | N4 | C19 | 105.9° | 107.4° |
| N4 | C17 | H25 | 123.0° | 125.0° |
| C17 | N5 | C18 | 103.7° | 109.5° |
| N5 | C17 | H25 | 123.0° | 125.1° |
| N5 | C18 | C19 | 110.8° | 107.1° |
| N5 | C18 | C21 | 132.5° | 134.7° |
| C18 | C19 | N4 | 105.7° | 106.0° |
| C18 | C19 | N6 | 126.9° | 119.1° |
| C19 | C18 | C21 | 116.7° | 118.1° |
| N4 | C19 | N6 | 127.3° | 134.9° |
| C19 | N6 | C20 | 111.0° | 120.6° |
| N6 | C20 | N7 | 129.0° | 122.5° |
| N6 | C20 | H26 | 115.5° | 118.7° |
| C20 | N7 | C21 | 118.9° | 121.2° |
| N7 | C20 | H26 | 115.5° | 118.8° |
| N7 | C21 | C18 | 117.5° | 118.5° |
| N7 | C21 | N8 | 118.3° | 120.8° |
| C18 | C21 | N8 | 124.2° | 120.8° |
| C21 | N8 | H27 | 109.5° | 120.0° |
| C21 | N8 | H28 | 109.5° | 120.0° |
| N3 | C22 | H29 | 109.5° | 109.4° |
| N3 | C22 | H30 | 109.5° | 109.5° |
| N3 | C22 | H31 | 109.5° | 109.5° |
| C8 | N9 | C23 | 103.4° | 109.5° |
| N9 | C23 | C24 | 111.1° | 107.4° |
| N9 | C23 | C26 | 131.9° | 134.5° |
| C23 | C24 | N2 | 105.7° | 106.2° |
| C23 | C24 | N10 | 126.9° | 119.1° |
| C24 | C23 | C26 | 116.9° | 118.1° |
| N2 | C24 | N10 | 127.3° | 134.7° |
| C24 | N10 | C25 | 110.7° | 120.6° |
| N10 | C25 | N11 | 128.9° | 122.5° |
| N10 | C25 | H32 | 115.5° | 118.8° |
| C25 | N11 | C26 | 119.0° | 121.2° |
| N11 | C25 | H32 | 115.5° | 118.8° |
| N11 | C26 | C23 | 117.4° | 118.4° |
| N11 | C26 | N12 | 118.8° | 120.8° |
| C23 | C26 | N12 | 123.8° | 120.8° |
| C26 | N12 | H34 | 109.5° | 120.0° |
| C26 | N12 | H33 | 109.5° | 120.0° |
| H9 | C | H8 | 109.5° | 109.4° |
| H9 | C | H10 | 109.5° | 109.5° |
| H8 | C | H10 | 109.4° | 109.5° |
| H12 | C1 | H11 | 109.5° | 109.5° |
| H20 | C11 | H19 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.5° | 109.5° |
| H29 | C22 | H30 | 109.5° | 109.5° |
| H29 | C22 | H31 | 109.5° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H16 | C3 | H15 | 109.4° | 109.5° |
| H34 | N12 | H33 | 109.5° | 120.0° |
| H27 | N8 | H28 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | N | H12 | 120.3° | 120.0° |
| C | C1 | N | H11 | 120.3° | 120.0° |
| C | C1 | N | C2 | 66.8° | 180.0° |
| C | C1 | N | H13 | 113.2° | 0.0° |
| C1 | C | H9 | H8 | 120.0° | 120.0° |
| C1 | C | H9 | H10 | 120.0° | 120.0° |
| C1 | C | H8 | H10 | 119.9° | 120.0° |
| C | C1 | H12 | H11 | 118.9° | 120.0° |
| C1 | N | C2 | H13 | 180.0° | 180.0° |
| C1 | N | C2 | O | 3.6° | 0.0° |
| C1 | N | C2 | N1 | 178.1° | 180.0° |
| N | C1 | C | H9 | 180.0° | 60.0° |
| N | C1 | C | H8 | 60.0° | 60.0° |
| N | C1 | C | H10 | 60.0° | 180.0° |
| N | C1 | H12 | H11 | 119.0° | 120.0° |
| N | C2 | O | N1 | 178.2° | 179.9° |
| N | C2 | N1 | C3 | 177.7° | 175.0° |
| N | C2 | N1 | H14 | 2.4° | 5.0° |
| C2 | N | C1 | H12 | 172.9° | 60.0° |
| C2 | N | C1 | H11 | 53.5° | 60.0° |
| O | C2 | N1 | C3 | 0.7° | 4.9° |
| O | C2 | N1 | H14 | 179.3° | 175.0° |
| O | C2 | N | H13 | 176.4° | 180.0° |
| C2 | N1 | C3 | H14 | 180.0° | 179.9° |
| C2 | N1 | C3 | C4 | 93.4° | 175.0° |
| N1 | C2 | N | H13 | 1.9° | 0.0° |
| C2 | N1 | C3 | H16 | 145.9° | 65.1° |
| C2 | N1 | C3 | H15 | 27.3° | 55.0° |
| N1 | C3 | C4 | H16 | 120.7° | 119.9° |
| N1 | C3 | C4 | H15 | 120.7° | 120.1° |
| N1 | C3 | C4 | O1 | 60.1° | 61.8° |
| N1 | C3 | C4 | C7 | 177.7° | 179.6° |
| N1 | C3 | C4 | H | 60.2° | 59.2° |
| N1 | C3 | H16 | H15 | 117.9° | 120.0° |
| C3 | C4 | O1 | C7 | 122.4° | 119.4° |
| C3 | C4 | O1 | H | 119.7° | 121.0° |
| C3 | C4 | O1 | C5 | 125.6° | 146.0° |
| C3 | C4 | C7 | C6 | 94.3° | 121.4° |
| C3 | C4 | C7 | H | 122.2° | 121.1° |
| C3 | C4 | C7 | O2 | 146.4° | 119.9° |
| C4 | C3 | N1 | H14 | 86.6° | 4.9° |
| C4 | C3 | H16 | H15 | 117.9° | 120.0° |
| C3 | C4 | C7 | H3 | 22.0° | 2.6° |
| C4 | O1 | C5 | C6 | 30.5° | 40.1° |
| O1 | C4 | C7 | C6 | 24.8° | 2.0° |
| O1 | C4 | C7 | H | 118.6° | 119.5° |
| O1 | C4 | C7 | O2 | 94.5° | 120.7° |
| C4 | O1 | C5 | N2 | 156.9° | 158.6° |
| C4 | O1 | C5 | H1 | 84.5° | 78.4° |
| O1 | C4 | C3 | H16 | 60.6° | 178.3° |
| O1 | C4 | C3 | H15 | 179.2° | 58.2° |
| O1 | C4 | C7 | H3 | 141.1° | 116.8° |
| O1 | C5 | C6 | N2 | 122.1° | 118.6° |
| O1 | C5 | C6 | H1 | 115.9° | 118.5° |
| O1 | C5 | C6 | C7 | 44.5° | 37.1° |
| C5 | O1 | C4 | C7 | 3.2° | 26.6° |
| O1 | C5 | C6 | O3 | 165.5° | 155.3° |
| O1 | C5 | N2 | H1 | 118.9° | 123.0° |
| O1 | C5 | N2 | C8 | 59.7° | 141.0° |
| O1 | C5 | N2 | C24 | 121.5° | 39.0° |
| C5 | O1 | C4 | H | 114.7° | 93.0° |
| O1 | C5 | C6 | H2 | 70.3° | 81.1° |
| C5 | C6 | C7 | O3 | 118.3° | 118.1° |
| C5 | C6 | C7 | H2 | 114.9° | 118.2° |
| C5 | C6 | C7 | C4 | 40.7° | 20.9° |
| C5 | C6 | C7 | O2 | 79.5° | 97.8° |
| C5 | C6 | O3 | H2 | 123.3° | 123.7° |
| C6 | C5 | N2 | H1 | 121.5° | 122.9° |
| C6 | C5 | N2 | C8 | 59.9° | 104.9° |
| C6 | C5 | N2 | C24 | 119.0° | 75.1° |
| C5 | C6 | C7 | H3 | 156.9° | 139.6° |
| C5 | C6 | O3 | H18 | 180.0° | 180.0° |
| C6 | C7 | C4 | O2 | 119.2° | 118.7° |
| C6 | C7 | C4 | H3 | 116.3° | 118.8° |
| C6 | C7 | O2 | H3 | 122.7° | 122.7° |
| C7 | C6 | O3 | H2 | 126.0° | 123.7° |
| C7 | C6 | C5 | N2 | 166.6° | 155.7° |
| C6 | C7 | C4 | H | 143.4° | 117.5° |
| C6 | C7 | O2 | H17 | 180.0° | 61.4° |
| C7 | C6 | C5 | H1 | 71.4° | 81.5° |
| C7 | C6 | O3 | H18 | 69.3° | 67.3° |
| C4 | C7 | O2 | H3 | 123.6° | 122.5° |
| C4 | C7 | C6 | O3 | 159.0° | 139.1° |
| C4 | C7 | O2 | H17 | 66.2° | 176.2° |
| C4 | C7 | C6 | H2 | 74.2° | 97.3° |
| C7 | C4 | C3 | H16 | 57.0° | 60.5° |
| C7 | C4 | C3 | H15 | 61.6° | 59.6° |
| O2 | C7 | C6 | O3 | 38.8° | 20.4° |
| O2 | C7 | C4 | H | 24.2° | 1.2° |
| O2 | C7 | C6 | H2 | 165.6° | 144.0° |
| O3 | C6 | C5 | N2 | 72.4° | 86.2° |
| O3 | C6 | C5 | H1 | 49.6° | 36.7° |
| O3 | C6 | C7 | H3 | 84.7° | 102.2° |
| C5 | N2 | C8 | C24 | 179.0° | 180.0° |
| C5 | N2 | C8 | C9 | 5.1° | 0.1° |
| C5 | N2 | C8 | N9 | 178.5° | 179.8° |
| C5 | N2 | C24 | C23 | 179.7° | 180.0° |
| C5 | N2 | C24 | N10 | 2.8° | 0.0° |
| N2 | C5 | C6 | H2 | 51.8° | 37.4° |
| N2 | C8 | C9 | N9 | 175.9° | 179.6° |
| N2 | C8 | C9 | C10 | 173.5° | 113.1° |
| N2 | C8 | N9 | C23 | 1.3° | 0.4° |
| C8 | N2 | C24 | C23 | 0.6° | 0.0° |
| C8 | N2 | C24 | N10 | 178.1° | 180.0° |
| C8 | N2 | C5 | H1 | 178.6° | 18.0° |
| C8 | C9 | C10 | C11 | 156.7° | 146.6° |
| C9 | C8 | N9 | C23 | 174.9° | 180.0° |
| C9 | C8 | N2 | C24 | 175.9° | 179.9° |
| C9 | C10 | C11 | N3 | 53.2° | 33.1° |
| C10 | C9 | C8 | N9 | 2.4° | 66.6° |
| C9 | C10 | C11 | H20 | 67.4° | 86.9° |
| C9 | C10 | C11 | H19 | 173.7° | 153.1° |
| C10 | C11 | N3 | H20 | 120.6° | 120.0° |
| C10 | C11 | N3 | H19 | 120.6° | 120.0° |
| C10 | C11 | N3 | C12 | 81.3° | 164.4° |
| C10 | C11 | N3 | C22 | 147.0° | 71.6° |
| C10 | C11 | H20 | H19 | 118.3° | 119.9° |
| C11 | N3 | C12 | C22 | 129.3° | 123.9° |
| C11 | N3 | C12 | C13 | 87.7° | 76.0° |
| N3 | C11 | H20 | H19 | 118.1° | 120.0° |
| C11 | N3 | C12 | H21 | 152.3° | 164.1° |
| C11 | N3 | C12 | H22 | 32.3° | 44.1° |
| C11 | N3 | C22 | H29 | 180.0° | 55.0° |
| C11 | N3 | C22 | H30 | 60.0° | 175.0° |
| C11 | N3 | C22 | H31 | 60.0° | 65.0° |
| N3 | C12 | C13 | H21 | 120.0° | 119.9° |
| N3 | C12 | C13 | H22 | 120.0° | 120.0° |
| N3 | C12 | C13 | O4 | 64.6° | 64.5° |
| N3 | C12 | C13 | C16 | 179.1° | 177.7° |
| C12 | N3 | C11 | H20 | 158.1° | 44.5° |
| C12 | N3 | C11 | H19 | 39.3° | 75.6° |
| N3 | C12 | H21 | H22 | 120.0° | 120.0° |
| N3 | C12 | C13 | H4 | 57.5° | 56.5° |
| C12 | N3 | C22 | H29 | 49.8° | 68.9° |
| C12 | N3 | C22 | H30 | 169.8° | 51.1° |
| C12 | N3 | C22 | H31 | 70.2° | 171.1° |
| C12 | C13 | O4 | C16 | 120.6° | 119.4° |
| C12 | C13 | O4 | H4 | 121.5° | 121.0° |
| C12 | C13 | O4 | C14 | 161.2° | 146.0° |
| C12 | C13 | C16 | C15 | 156.3° | 121.5° |
| C12 | C13 | C16 | H4 | 123.5° | 121.1° |
| C12 | C13 | C16 | O5 | 83.0° | 119.9° |
| C13 | C12 | N3 | C22 | 143.0° | 160.1° |
| C13 | C12 | H21 | H22 | 120.0° | 120.0° |
| C12 | C13 | C16 | H7 | 39.8° | 2.8° |
| C13 | O4 | C14 | C15 | 25.7° | 40.1° |
| O4 | C13 | C16 | C15 | 38.5° | 2.1° |
| O4 | C13 | C16 | H4 | 118.7° | 119.5° |
| O4 | C13 | C16 | O5 | 159.2° | 120.8° |
| C13 | O4 | C14 | N4 | 149.9° | 158.6° |
| O4 | C13 | C12 | H21 | 55.4° | 55.5° |
| O4 | C13 | C12 | H22 | 175.4° | 175.5° |
| C13 | O4 | C14 | H5 | 91.2° | 78.5° |
| O4 | C13 | C16 | H7 | 78.0° | 116.6° |
| O4 | C14 | C15 | N4 | 121.0° | 118.4° |
| O4 | C14 | C15 | H5 | 117.9° | 118.7° |
| O4 | C14 | C15 | C16 | 0.7° | 37.0° |
| C14 | O4 | C13 | C16 | 40.5° | 26.6° |
| O4 | C14 | C15 | O6 | 118.6° | 155.3° |
| O4 | C14 | N4 | H5 | 119.2° | 123.0° |
| O4 | C14 | N4 | C17 | 62.8° | 19.1° |
| O4 | C14 | N4 | C19 | 120.3° | 161.2° |
| C14 | O4 | C13 | H4 | 77.4° | 93.1° |
| O4 | C14 | C15 | H6 | 118.2° | 81.2° |
| C14 | C15 | C16 | O6 | 114.4° | 118.2° |
| C14 | C15 | C16 | H6 | 118.9° | 118.2° |
| C14 | C15 | C16 | C13 | 22.6° | 20.9° |
| C14 | C15 | C16 | O5 | 140.6° | 97.8° |
| C14 | C15 | O6 | H6 | 122.1° | 123.6° |
| C15 | C14 | N4 | H5 | 120.5° | 122.9° |
| C15 | C14 | N4 | C17 | 57.5° | 95.0° |
| C15 | C14 | N4 | C19 | 119.3° | 84.7° |
| C14 | C15 | O6 | H24 | 180.0° | 180.0° |
| C14 | C15 | C16 | H7 | 94.0° | 139.6° |
| C15 | C16 | C13 | O5 | 120.7° | 118.7° |
| C15 | C16 | C13 | H7 | 116.5° | 118.7° |
| C15 | C16 | O5 | H7 | 124.5° | 122.6° |
| C16 | C15 | O6 | H6 | 125.7° | 123.7° |
| C16 | C15 | C14 | N4 | 121.7° | 155.5° |
| C16 | C15 | O6 | H24 | 67.8° | 67.3° |
| C15 | C16 | C13 | H4 | 80.2° | 117.5° |
| C16 | C15 | C14 | H5 | 117.2° | 81.6° |
| C15 | C16 | O5 | H23 | 180.0° | 61.4° |
| C13 | C16 | O5 | H7 | 121.9° | 122.6° |
| C13 | C16 | C15 | O6 | 91.7° | 139.1° |
| C16 | C13 | C12 | H21 | 59.0° | 62.3° |
| C16 | C13 | C12 | H22 | 60.9° | 57.7° |
| C13 | C16 | C15 | H6 | 141.6° | 97.3° |
| C13 | C16 | O5 | H23 | 66.4° | 176.2° |
| O5 | C16 | C15 | O6 | 26.2° | 20.4° |
| O5 | C16 | C13 | H4 | 40.5° | 1.2° |
| O5 | C16 | C15 | H6 | 100.5° | 144.0° |
| O6 | C15 | C14 | N4 | 120.4° | 86.3° |
| O6 | C15 | C14 | H5 | 0.7° | 36.6° |
| O6 | C15 | C16 | H7 | 151.6° | 102.2° |
| C14 | N4 | C17 | C19 | 177.4° | 179.7° |
| C14 | N4 | C17 | N5 | 177.4° | 179.9° |
| C14 | N4 | C19 | C18 | 177.0° | 180.0° |
| C14 | N4 | C19 | N6 | 1.8° | 0.2° |
| N4 | C14 | C15 | H6 | 2.8° | 37.2° |
| C14 | N4 | C17 | H25 | 2.6° | 0.1° |
| N4 | C17 | N5 | H25 | 180.0° | 180.0° |
| N4 | C17 | N5 | C18 | 0.5° | 0.1° |
| C17 | N4 | C19 | C18 | 0.4° | 0.2° |
| C17 | N4 | C19 | N6 | 179.2° | 180.0° |
| C17 | N4 | C14 | H5 | 178.0° | 142.1° |
| C17 | N5 | C18 | C19 | 0.7° | 0.1° |
| N5 | C17 | N4 | C19 | 0.0° | 0.2° |
| C17 | N5 | C18 | C21 | 178.0° | 180.0° |
| N5 | C18 | C19 | C21 | 178.9° | 180.0° |
| N5 | C18 | C19 | N4 | 0.8° | 0.2° |
| N5 | C18 | C19 | N6 | 179.5° | 180.0° |
| N5 | C18 | C21 | N7 | 178.1° | 180.0° |
| N5 | C18 | C21 | N8 | 3.5° | 0.0° |
| C18 | N5 | C17 | H25 | 179.6° | 179.9° |
| C18 | C19 | N4 | N6 | 178.7° | 179.8° |
| C18 | C19 | N6 | C20 | 1.0° | 0.0° |
| C19 | C18 | C21 | N7 | 0.5° | 0.0° |
| C19 | C18 | C21 | N8 | 177.8° | 180.0° |
| N4 | C19 | N6 | C20 | 177.5° | 179.8° |
| N4 | C19 | C18 | C21 | 178.2° | 179.8° |
| C19 | N4 | C14 | H5 | 1.1° | 38.2° |
| C19 | N4 | C17 | H25 | 180.0° | 179.8° |
| C19 | N6 | C20 | N7 | 0.4° | 0.0° |
| N6 | C19 | C18 | C21 | 0.5° | 0.0° |
| C19 | N6 | C20 | H26 | 179.6° | 179.9° |
| N6 | C20 | N7 | H26 | 180.0° | 180.0° |
| N6 | C20 | N7 | C21 | 0.6° | 0.0° |
| C20 | N7 | C21 | C18 | 1.0° | 0.0° |
| C20 | N7 | C21 | N8 | 177.4° | 180.0° |
| N7 | C21 | C18 | N8 | 178.3° | 180.0° |
| C21 | N7 | C20 | H26 | 179.4° | 179.9° |
| N7 | C21 | N8 | H27 | 0.0° | 180.0° |
| N7 | C21 | N8 | H28 | 120.0° | 0.1° |
| C18 | C21 | N8 | H27 | 178.4° | 0.0° |
| C18 | C21 | N8 | H28 | 58.3° | 180.0° |
| C21 | N8 | H27 | H28 | 120.0° | 179.9° |
| C22 | N3 | C11 | H20 | 26.3° | 168.4° |
| C22 | N3 | C11 | H19 | 92.4° | 48.4° |
| C22 | N3 | C12 | H21 | 23.0° | 40.1° |
| C22 | N3 | C12 | H22 | 97.0° | 79.9° |
| N3 | C22 | H29 | H30 | 120.0° | 120.0° |
| N3 | C22 | H29 | H31 | 120.0° | 120.0° |
| N3 | C22 | H30 | H31 | 120.0° | 120.0° |
| C8 | N9 | C23 | C24 | 1.7° | 0.4° |
| N9 | C8 | N2 | C24 | 0.5° | 0.2° |
| C8 | N9 | C23 | C26 | 174.9° | 179.9° |
| N9 | C23 | C24 | C26 | 177.2° | 179.8° |
| N9 | C23 | C24 | N2 | 1.5° | 0.2° |
| N9 | C23 | C24 | N10 | 179.0° | 179.8° |
| N9 | C23 | C26 | N11 | 178.0° | 179.7° |
| N9 | C23 | C26 | N12 | 0.3° | 0.3° |
| C23 | C24 | N2 | N10 | 177.5° | 180.0° |
| C23 | C24 | N10 | C25 | 0.8° | 0.0° |
| C24 | C23 | C26 | N11 | 1.5° | 0.0° |
| C24 | C23 | C26 | N12 | 176.2° | 180.0° |
| N2 | C24 | N10 | C25 | 176.2° | 180.0° |
| N2 | C24 | C23 | C26 | 175.7° | 180.0° |
| C24 | N2 | C5 | H1 | 2.5° | 162.0° |
| C24 | N10 | C25 | N11 | 0.5° | 0.0° |
| N10 | C24 | C23 | C26 | 1.8° | 0.0° |
| C24 | N10 | C25 | H32 | 179.5° | 179.9° |
| N10 | C25 | N11 | H32 | 180.0° | 179.9° |
| N10 | C25 | N11 | C26 | 0.7° | 0.0° |
| C25 | N11 | C26 | C23 | 0.4° | 0.0° |
| C25 | N11 | C26 | N12 | 177.4° | 180.0° |
| N11 | C26 | C23 | N12 | 177.7° | 180.0° |
| C26 | N11 | C25 | H32 | 179.4° | 179.9° |
| N11 | C26 | N12 | H34 | 0.0° | 180.0° |
| N11 | C26 | N12 | H33 | 120.0° | 0.0° |
| C23 | C26 | N12 | H34 | 177.7° | 0.1° |
| C23 | C26 | N12 | H33 | 57.7° | 180.0° |
| C26 | N12 | H34 | H33 | 120.0° | 180.0° |
| H | C4 | C3 | H16 | 179.2° | 60.7° |
| H | C4 | C3 | H15 | 60.5° | 179.2° |
| H | C4 | C7 | H3 | 100.2° | 123.7° |
| H17 | O2 | C7 | H3 | 57.3° | 61.3° |
| H1 | C5 | C6 | H2 | 173.8° | 160.3° |
| H2 | C6 | C7 | H3 | 42.0° | 21.4° |
| H2 | C6 | O3 | H18 | 56.7° | 56.4° |
| H24 | O6 | C15 | H6 | 57.9° | 56.4° |
| H14 | N1 | C3 | H16 | 34.1° | 115.0° |
| H14 | N1 | C3 | H15 | 152.7° | 125.0° |
| H13 | N | C1 | H12 | 7.1° | 120.0° |
| H13 | N | C1 | H11 | 126.5° | 120.0° |
| H9 | C | H8 | H10 | 120.0° | 120.0° |
| H9 | C | C1 | H12 | 59.6° | 180.0° |
| H9 | C | C1 | H11 | 59.7° | 60.0° |
| H8 | C | C1 | H12 | 60.4° | 60.0° |
| H8 | C | C1 | H11 | 179.7° | 180.0° |
| H10 | C | C1 | H12 | 179.7° | 59.9° |
| H10 | C | C1 | H11 | 60.3° | 60.0° |
| H21 | C12 | C13 | H4 | 177.6° | 176.5° |
| H22 | C12 | C13 | H4 | 62.5° | 63.5° |
| H4 | C13 | C16 | H7 | 163.2° | 123.8° |
| H5 | C14 | C15 | H6 | 123.9° | 160.1° |
| H6 | C15 | C16 | H7 | 24.9° | 21.4° |
| H7 | C16 | O5 | H23 | 55.5° | 61.2° |
| H29 | C22 | H30 | H31 | 120.0° | 120.0° |
