U0G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | O23 | sing | 1.36Å | 1.46Å | |
| C22 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.57Å | |
| C16 | N15 | sing | 1.47Å | 1.46Å | |
| N15 | C14 | sing | 1.47Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C01 | O02 | sing | 1.43Å | 1.38Å | |
| O02 | C03 | sing | 1.36Å | 1.41Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C03 | C12 | doub | 1.39Å | 1.36Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.43Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.40Å | 1.41Å | Aromatic |
| C11 | C08 | doub | 1.39Å | 1.45Å | Aromatic |
| C05 | C08 | sing | 1.40Å | 1.35Å | Aromatic |
| C05 | C06 | sing | 1.43Å | 1.53Å | |
| C08 | O09 | sing | 1.36Å | 1.38Å | |
| C10 | O09 | sing | 1.43Å | 1.39Å | |
| C06 | N07 | trip | 1.14Å | 1.11Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.08Å | 1.08Å | |
| C21 | H7 | sing | 1.08Å | 1.08Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| N15 | H19 | sing | 1.01Å | 1.00Å | |
| O23 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 120.1° | 120.1° |
| C20 | C21 | C22 | 119.8° | 119.9° |
| C21 | C20 | H6 | 120.0° | 119.9° |
| C20 | C21 | H7 | 120.1° | 120.1° |
| C20 | C19 | C18 | 120.1° | 120.1° |
| C19 | C20 | H6 | 119.9° | 120.0° |
| C20 | C19 | H18 | 119.9° | 119.9° |
| C21 | C22 | O23 | 120.0° | 120.1° |
| C21 | C22 | C17 | 120.4° | 119.9° |
| C22 | C21 | H7 | 120.1° | 120.0° |
| C19 | C18 | C17 | 119.6° | 120.1° |
| C19 | C18 | H17 | 120.2° | 120.0° |
| C18 | C19 | H18 | 120.0° | 120.0° |
| O23 | C22 | C17 | 119.6° | 120.0° |
| C22 | O23 | H21 | 109.5° | 114.0° |
| C22 | C17 | C18 | 120.0° | 119.9° |
| C22 | C17 | C16 | 119.0° | 120.1° |
| C18 | C17 | C16 | 121.0° | 120.0° |
| C17 | C18 | H17 | 120.2° | 119.9° |
| C17 | C16 | N15 | 111.3° | 109.5° |
| C17 | C16 | H15 | 109.0° | 109.5° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| C16 | N15 | C14 | 109.5° | 111.0° |
| N15 | C16 | H15 | 109.0° | 109.5° |
| N15 | C16 | H16 | 109.0° | 109.4° |
| C16 | N15 | H19 | 109.4° | 111.1° |
| N15 | C14 | C13 | 109.8° | 109.5° |
| N15 | C14 | H13 | 109.4° | 109.5° |
| N15 | C14 | H14 | 109.4° | 109.5° |
| C14 | N15 | H19 | 109.5° | 111.0° |
| C14 | C13 | C12 | 113.6° | 109.5° |
| C14 | C13 | H4 | 108.4° | 109.5° |
| C14 | C13 | H5 | 108.4° | 109.5° |
| C13 | C14 | H13 | 109.4° | 109.4° |
| C13 | C14 | H14 | 109.4° | 109.5° |
| C01 | O02 | C03 | 113.2° | 117.0° |
| O02 | C01 | H8 | 109.5° | 109.5° |
| O02 | C01 | H9 | 109.5° | 109.4° |
| O02 | C01 | H10 | 109.5° | 109.5° |
| O02 | C03 | C12 | 119.9° | 119.9° |
| O02 | C03 | C04 | 119.9° | 119.9° |
| C13 | C12 | C03 | 120.4° | 119.8° |
| C13 | C12 | C11 | 119.1° | 119.8° |
| C12 | C13 | H4 | 108.4° | 109.4° |
| C12 | C13 | H5 | 108.4° | 109.5° |
| C12 | C03 | C04 | 120.1° | 120.2° |
| C03 | C12 | C11 | 120.4° | 120.4° |
| C03 | C04 | C05 | 119.7° | 119.8° |
| C03 | C04 | H11 | 120.1° | 120.1° |
| C12 | C11 | C08 | 119.7° | 120.1° |
| C12 | C11 | H12 | 120.2° | 120.0° |
| C04 | C05 | C08 | 120.0° | 119.7° |
| C04 | C05 | C06 | 119.6° | 120.2° |
| C05 | C04 | H11 | 120.1° | 120.1° |
| C11 | C08 | C05 | 120.0° | 119.8° |
| C11 | C08 | O09 | 119.7° | 120.1° |
| C08 | C11 | H12 | 120.2° | 119.9° |
| C08 | C05 | C06 | 120.5° | 120.2° |
| C05 | C08 | O09 | 120.3° | 120.1° |
| C05 | C06 | N07 | 179.5° | 180.0° |
| C08 | O09 | C10 | 113.1° | 117.0° |
| O09 | C10 | H1 | 109.5° | 109.4° |
| O09 | C10 | H2 | 109.4° | 109.5° |
| O09 | C10 | H3 | 109.5° | 109.4° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H6 | 180.0° | 179.7° |
| C20 | C21 | C22 | H7 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.1° | 0.3° |
| C20 | C21 | C22 | O23 | 180.0° | 180.0° |
| C20 | C21 | C22 | C17 | 0.0° | 0.0° |
| C21 | C20 | C19 | H18 | 179.9° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.3° |
| C20 | C19 | C18 | H18 | 180.0° | 179.8° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C19 | C20 | C21 | H7 | 179.9° | 180.0° |
| C20 | C19 | C18 | H17 | 179.9° | 180.0° |
| C21 | C22 | O23 | C17 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 0.1° | 0.3° |
| C21 | C22 | C17 | C16 | 180.0° | 180.0° |
| C22 | C21 | C20 | H6 | 179.9° | 180.0° |
| C21 | C22 | O23 | H21 | 180.0° | 90.0° |
| C19 | C18 | C17 | C22 | 0.2° | 0.4° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 180.0° | 180.0° |
| C18 | C19 | C20 | H6 | 179.9° | 179.9° |
| O23 | C22 | C17 | C18 | 179.9° | 179.7° |
| O23 | C22 | C17 | C16 | 0.0° | 0.0° |
| O23 | C22 | C21 | H7 | 0.0° | 0.3° |
| C22 | C17 | C18 | C16 | 179.8° | 179.7° |
| C22 | C17 | C16 | N15 | 128.6° | 79.9° |
| C17 | C22 | C21 | H7 | 180.0° | 179.7° |
| C22 | C17 | C16 | H15 | 111.1° | 160.0° |
| C22 | C17 | C16 | H16 | 8.4° | 40.0° |
| C22 | C17 | C18 | H17 | 179.8° | 179.7° |
| C17 | C22 | O23 | H21 | 0.0° | 90.0° |
| C18 | C17 | C16 | N15 | 51.5° | 99.7° |
| C18 | C17 | C16 | H15 | 68.7° | 20.3° |
| C18 | C17 | C16 | H16 | 171.8° | 140.3° |
| C17 | C18 | C19 | H18 | 179.9° | 179.7° |
| C17 | C16 | N15 | H15 | 120.3° | 120.0° |
| C17 | C16 | N15 | H16 | 120.3° | 120.0° |
| C17 | C16 | N15 | C14 | 61.4° | 180.0° |
| C17 | C16 | H15 | H16 | 119.2° | 120.0° |
| C16 | C17 | C18 | H17 | 0.0° | 0.0° |
| C17 | C16 | N15 | H19 | 58.6° | 56.0° |
| C16 | N15 | C14 | H19 | 120.0° | 124.1° |
| C16 | N15 | C14 | C13 | 128.0° | 180.0° |
| C16 | N15 | C14 | H13 | 7.9° | 60.1° |
| C16 | N15 | C14 | H14 | 112.0° | 60.0° |
| N15 | C16 | H15 | H16 | 119.1° | 120.0° |
| N15 | C14 | C13 | H13 | 120.0° | 119.9° |
| N15 | C14 | C13 | H14 | 120.1° | 120.1° |
| N15 | C14 | C13 | C12 | 123.6° | 180.0° |
| N15 | C14 | C13 | H4 | 3.0° | 60.1° |
| N15 | C14 | C13 | H5 | 115.8° | 59.9° |
| N15 | C14 | H13 | H14 | 119.9° | 120.1° |
| C14 | N15 | C16 | H15 | 178.4° | 60.0° |
| C14 | N15 | C16 | H16 | 58.9° | 60.0° |
| C14 | C13 | C12 | H4 | 120.6° | 120.0° |
| C14 | C13 | C12 | H5 | 120.6° | 120.1° |
| C14 | C13 | C12 | C03 | 77.4° | 85.1° |
| C14 | C13 | C12 | C11 | 102.6° | 95.0° |
| C14 | C13 | H4 | H5 | 118.1° | 120.0° |
| C13 | C14 | H13 | H14 | 119.8° | 120.0° |
| C13 | C14 | N15 | H19 | 112.1° | 55.9° |
| C01 | O02 | C03 | C12 | 137.3° | 179.9° |
| C01 | O02 | C03 | C04 | 42.4° | 0.3° |
| O02 | C01 | H8 | H9 | 120.0° | 120.0° |
| O02 | C01 | H8 | H10 | 120.0° | 120.0° |
| O02 | C01 | H9 | H10 | 120.0° | 120.0° |
| O02 | C03 | C12 | C13 | 0.2° | 0.2° |
| O02 | C03 | C12 | C04 | 179.8° | 179.8° |
| O02 | C03 | C12 | C11 | 179.9° | 179.7° |
| O02 | C03 | C04 | C05 | 179.9° | 179.7° |
| C03 | O02 | C01 | H8 | 180.0° | 180.0° |
| C03 | O02 | C01 | H9 | 60.0° | 60.0° |
| C03 | O02 | C01 | H10 | 60.0° | 60.0° |
| O02 | C03 | C04 | H11 | 0.2° | 0.3° |
| C13 | C12 | C03 | C11 | 179.9° | 179.9° |
| C13 | C12 | C03 | C04 | 179.9° | 180.0° |
| C13 | C12 | C11 | C08 | 180.0° | 180.0° |
| C12 | C13 | H4 | H5 | 118.1° | 120.0° |
| C13 | C12 | C11 | H12 | 0.0° | 0.0° |
| C12 | C13 | C14 | H13 | 116.4° | 60.0° |
| C12 | C13 | C14 | H14 | 3.5° | 60.0° |
| C12 | C03 | C04 | C05 | 0.1° | 0.1° |
| C03 | C12 | C11 | C08 | 0.1° | 0.0° |
| C03 | C12 | C13 | H4 | 162.0° | 155.0° |
| C03 | C12 | C13 | H5 | 43.2° | 35.0° |
| C12 | C03 | C04 | H11 | 179.9° | 180.0° |
| C03 | C12 | C11 | H12 | 179.9° | 180.0° |
| C04 | C03 | C12 | C11 | 0.1° | 0.1° |
| C03 | C04 | C05 | H11 | 180.0° | 180.0° |
| C03 | C04 | C05 | C08 | 0.1° | 0.1° |
| C03 | C04 | C05 | C06 | 180.0° | 180.0° |
| C12 | C11 | C08 | H12 | 180.0° | 180.0° |
| C12 | C11 | C08 | C05 | 0.0° | 0.1° |
| C12 | C11 | C08 | O09 | 179.9° | 180.0° |
| C11 | C12 | C13 | H4 | 18.0° | 25.0° |
| C11 | C12 | C13 | H5 | 136.8° | 144.9° |
| C04 | C05 | C08 | C11 | 0.0° | 0.1° |
| C04 | C05 | C08 | C06 | 180.0° | 179.9° |
| C04 | C05 | C08 | O09 | 179.9° | 180.0° |
| C04 | C05 | C06 | N07 | 12.3° | 32.5° |
| C11 | C08 | C05 | O09 | 180.0° | 179.9° |
| C11 | C08 | C05 | C06 | 180.0° | 180.0° |
| C11 | C08 | O09 | C10 | 80.9° | 0.1° |
| C05 | C08 | O09 | C10 | 99.1° | 180.0° |
| C08 | C05 | C06 | N07 | 167.7° | 147.4° |
| C08 | C05 | C04 | H11 | 179.9° | 179.9° |
| C05 | C08 | C11 | H12 | 180.0° | 179.9° |
| C06 | C05 | C08 | O09 | 0.0° | 0.1° |
| C06 | C05 | C04 | H11 | 0.0° | 0.0° |
| C08 | O09 | C10 | H1 | 180.0° | 60.1° |
| C08 | O09 | C10 | H2 | 60.0° | 60.0° |
| C08 | O09 | C10 | H3 | 60.0° | 180.0° |
| O09 | C08 | C11 | H12 | 0.1° | 0.0° |
| O09 | C10 | H1 | H2 | 120.0° | 120.0° |
| O09 | C10 | H1 | H3 | 120.0° | 119.9° |
| O09 | C10 | H2 | H3 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 119.9° | 120.0° |
| H4 | C13 | C14 | H13 | 123.0° | 180.0° |
| H4 | C13 | C14 | H14 | 117.1° | 60.0° |
| H5 | C13 | C14 | H13 | 4.2° | 60.0° |
| H5 | C13 | C14 | H14 | 124.1° | 180.0° |
| H6 | C20 | C21 | H7 | 0.1° | 0.4° |
| H6 | C20 | C19 | H18 | 0.1° | 0.3° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H13 | C14 | N15 | H19 | 127.9° | 64.0° |
| H14 | C14 | N15 | H19 | 8.0° | 176.0° |
| H15 | C16 | N15 | H19 | 61.6° | 176.0° |
| H16 | C16 | N15 | H19 | 178.9° | 64.0° |
| H17 | C18 | C19 | H18 | 0.1° | 0.2° |
