U6B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C24 | sing | 1.43Å | 1.43Å | |
| C27 | N28 | trip | 1.14Å | 1.16Å | |
| C9 | C8 | sing | 1.51Å | 1.47Å | |
| C9 | N10 | doub | 1.28Å | 1.25Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C3 | sing | 1.48Å | 1.46Å | |
| C6 | C7 | sing | 1.51Å | 1.50Å | |
| C12 | C14 | sing | 1.51Å | 1.52Å | |
| C12 | N11 | sing | 1.35Å | 1.34Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C19 | C14 | sing | 1.53Å | 1.52Å | |
| C16 | O17 | sing | 1.43Å | 1.43Å | |
| C18 | O17 | sing | 1.43Å | 1.43Å | |
| C14 | N20 | sing | 1.47Å | 1.46Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | N11 | sing | 1.46Å | 1.46Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N20 | H201 | sing | 1.01Å | 1.00Å | |
| N20 | H202 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C27 | N28 | 178.6° | 179.9° |
| C27 | C24 | C23 | 122.1° | 120.1° |
| C27 | C24 | C25 | 118.9° | 120.0° |
| C8 | C9 | N10 | 123.1° | 120.0° |
| C8 | C9 | H9 | 118.4° | 120.0° |
| C9 | C8 | C7 | 111.8° | 109.5° |
| C9 | C8 | N11 | 108.8° | 109.5° |
| C9 | C8 | H8 | 108.7° | 109.4° |
| N10 | C9 | H9 | 118.4° | 120.0° |
| C9 | N10 | H10 | 112.0° | 120.0° |
| C22 | C23 | C24 | 120.6° | 120.0° |
| C23 | C22 | C21 | 121.2° | 120.1° |
| C22 | C23 | H23 | 119.7° | 120.0° |
| C23 | C22 | H22 | 119.4° | 120.0° |
| C23 | C24 | C25 | 119.0° | 119.9° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C26 | C25 | C24 | 120.1° | 119.9° |
| C25 | C26 | C21 | 121.9° | 120.1° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | H26 | 119.1° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C22 | C21 | C26 | 117.2° | 120.0° |
| C22 | C21 | C3 | 122.2° | 120.0° |
| C21 | C22 | H22 | 119.4° | 120.0° |
| C26 | C21 | C3 | 120.5° | 120.0° |
| C21 | C26 | H26 | 119.1° | 120.0° |
| C1 | C2 | C3 | 122.1° | 119.9° |
| C2 | C1 | C6 | 120.5° | 120.1° |
| C1 | C2 | H2 | 119.0° | 120.1° |
| C2 | C1 | H1 | 119.7° | 119.9° |
| C2 | C3 | C4 | 116.8° | 119.8° |
| C2 | C3 | C21 | 119.8° | 120.1° |
| C3 | C2 | H2 | 119.0° | 120.1° |
| C5 | C4 | C3 | 121.5° | 119.8° |
| C4 | C5 | C6 | 120.6° | 120.1° |
| C5 | C4 | H4 | 119.3° | 120.0° |
| C4 | C5 | H5 | 119.7° | 119.9° |
| C4 | C3 | C21 | 123.3° | 120.1° |
| C3 | C4 | H4 | 119.2° | 120.1° |
| C1 | C6 | C5 | 118.4° | 120.3° |
| C1 | C6 | C7 | 119.0° | 119.9° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| C5 | C6 | C7 | 122.6° | 119.9° |
| C6 | C5 | H5 | 119.7° | 119.9° |
| C6 | C7 | C8 | 110.6° | 109.5° |
| C6 | C7 | H71C | 109.2° | 109.4° |
| C6 | C7 | H72C | 109.2° | 109.5° |
| C14 | C12 | N11 | 114.8° | 120.0° |
| C14 | C12 | O13 | 121.8° | 120.0° |
| C12 | C14 | C15 | 112.6° | 109.5° |
| C12 | C14 | C19 | 110.5° | 109.5° |
| C12 | C14 | N20 | 109.7° | 109.5° |
| N11 | C12 | O13 | 123.3° | 120.0° |
| C12 | N11 | C8 | 121.0° | 120.0° |
| C12 | N11 | H11 | 119.5° | 120.0° |
| C16 | C15 | C14 | 111.2° | 109.2° |
| C15 | C16 | O17 | 109.3° | 109.4° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C16 | C15 | H152 | 109.0° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C14 | C19 | 109.4° | 109.1° |
| C15 | C14 | N20 | 106.7° | 109.6° |
| C14 | C15 | H151 | 109.1° | 109.5° |
| C14 | C15 | H152 | 109.0° | 109.5° |
| C18 | C19 | C14 | 111.5° | 109.2° |
| C19 | C18 | O17 | 114.1° | 109.5° |
| C18 | C19 | H191 | 109.0° | 109.5° |
| C18 | C19 | H192 | 109.0° | 109.5° |
| C19 | C18 | H181 | 108.3° | 109.5° |
| C19 | C18 | H182 | 108.3° | 109.5° |
| C19 | C14 | N20 | 107.7° | 109.6° |
| C14 | C19 | H191 | 108.9° | 109.5° |
| C14 | C19 | H192 | 108.9° | 109.5° |
| C16 | O17 | C18 | 109.8° | 114.1° |
| O17 | C16 | H161 | 109.5° | 109.4° |
| O17 | C16 | H162 | 109.5° | 109.5° |
| O17 | C18 | H181 | 108.3° | 109.5° |
| O17 | C18 | H182 | 108.3° | 109.4° |
| C14 | N20 | H201 | 109.5° | 111.0° |
| C14 | N20 | H202 | 109.5° | 111.0° |
| C7 | C8 | N11 | 110.6° | 109.5° |
| C7 | C8 | H8 | 108.0° | 109.5° |
| C8 | C7 | H71C | 109.2° | 109.5° |
| C8 | C7 | H72C | 109.2° | 109.5° |
| N11 | C8 | H8 | 108.8° | 109.5° |
| C8 | N11 | H11 | 119.5° | 120.0° |
| H71C | C7 | H72C | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.6° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.6° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H201 | N20 | H202 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C24 | C23 | C22 | 179.3° | 180.0° |
| C27 | C24 | C23 | C25 | 179.8° | 179.9° |
| C27 | C24 | C25 | C26 | 179.6° | 180.0° |
| C27 | C24 | C23 | H23 | 0.6° | 0.3° |
| C27 | C24 | C25 | H25 | 0.3° | 0.0° |
| N28 | C27 | C24 | C23 | 10.6° | 14.4° |
| N28 | C27 | C24 | C25 | 169.6° | 165.5° |
| C8 | C9 | N10 | H9 | 180.0° | 179.8° |
| C9 | C8 | C7 | C6 | 167.3° | 175.0° |
| C9 | C8 | N11 | C12 | 107.8° | 85.0° |
| C9 | C8 | C7 | N11 | 121.4° | 120.0° |
| C9 | C8 | C7 | H8 | 119.6° | 119.9° |
| C9 | C8 | N11 | H8 | 118.2° | 120.0° |
| C8 | C9 | N10 | H10 | 180.0° | 180.0° |
| C9 | C8 | C7 | H71C | 72.5° | 55.0° |
| C9 | C8 | C7 | H72C | 47.2° | 65.0° |
| C9 | C8 | N11 | H11 | 72.2° | 95.1° |
| N10 | C9 | C8 | C7 | 12.2° | 120.0° |
| N10 | C9 | C8 | N11 | 134.7° | 0.1° |
| N10 | C9 | C8 | H8 | 107.0° | 120.1° |
| H9 | C9 | C8 | C7 | 167.9° | 60.2° |
| H9 | C9 | C8 | N11 | 45.4° | 179.8° |
| H9 | C9 | C8 | H8 | 73.0° | 59.8° |
| H9 | C9 | N10 | H10 | 0.0° | 0.2° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 0.5° | 0.1° |
| C23 | C22 | C21 | H22 | 180.0° | 180.0° |
| C23 | C22 | C21 | C26 | 0.0° | 0.0° |
| C23 | C22 | C21 | C3 | 178.2° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | C23 | C22 | C21 | 0.4° | 0.0° |
| C24 | C23 | C22 | H22 | 179.6° | 180.0° |
| C23 | C24 | C25 | H25 | 179.8° | 179.9° |
| C26 | C25 | C24 | H25 | 180.0° | 180.0° |
| C25 | C26 | C21 | C22 | 0.3° | 0.0° |
| C25 | C26 | C21 | H26 | 180.0° | 180.0° |
| C25 | C26 | C21 | C3 | 177.9° | 180.0° |
| C24 | C25 | C26 | C21 | 0.2° | 0.1° |
| C25 | C24 | C23 | H23 | 179.5° | 179.8° |
| C24 | C25 | C26 | H26 | 179.8° | 179.9° |
| C22 | C21 | C26 | C3 | 178.3° | 180.0° |
| C22 | C21 | C3 | C2 | 157.2° | 179.9° |
| C22 | C21 | C3 | C4 | 21.4° | 0.0° |
| C21 | C22 | C23 | H23 | 179.6° | 179.7° |
| C22 | C21 | C26 | H26 | 179.7° | 180.0° |
| C26 | C21 | C3 | C2 | 21.0° | 0.1° |
| C26 | C21 | C3 | C4 | 160.5° | 180.0° |
| C26 | C21 | C22 | H22 | 180.0° | 180.0° |
| C21 | C26 | C25 | H25 | 179.8° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.6° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 0.5° | 0.1° |
| C1 | C2 | C3 | C21 | 178.7° | 180.0° |
| C2 | C1 | C6 | C7 | 179.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | C21 | 178.6° | 179.9° |
| C3 | C2 | C1 | C6 | 0.3° | 0.1° |
| C3 | C2 | C1 | H1 | 179.7° | 180.0° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.4° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | C21 | 178.6° | 180.0° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C3 | C2 | H2 | 180.0° | 179.7° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C1 | C6 | C5 | C7 | 179.7° | 179.9° |
| C1 | C6 | C7 | C8 | 102.8° | 89.9° |
| C6 | C1 | C2 | H2 | 179.7° | 179.7° |
| C1 | C6 | C5 | H5 | 179.6° | 179.9° |
| C1 | C6 | C7 | H71C | 137.0° | 150.1° |
| C1 | C6 | C7 | H72C | 17.4° | 30.1° |
| C5 | C6 | C7 | C8 | 76.9° | 90.0° |
| C5 | C6 | C1 | H1 | 179.5° | 180.0° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C5 | C6 | C7 | H71C | 43.3° | 30.0° |
| C5 | C6 | C7 | H72C | 162.9° | 150.0° |
| C3 | C21 | C22 | H22 | 1.8° | 0.0° |
| C3 | C21 | C26 | H26 | 2.1° | 0.0° |
| C21 | C3 | C2 | H2 | 1.3° | 0.4° |
| C21 | C3 | C4 | H4 | 1.4° | 0.0° |
| C6 | C7 | C8 | H71C | 120.2° | 120.0° |
| C6 | C7 | C8 | H72C | 120.2° | 120.0° |
| C6 | C7 | C8 | N11 | 45.9° | 65.0° |
| C6 | C7 | C8 | H8 | 73.1° | 55.0° |
| C7 | C6 | C1 | H1 | 0.2° | 0.1° |
| C7 | C6 | C5 | H5 | 0.1° | 0.0° |
| C6 | C7 | H71C | H72C | 119.5° | 120.0° |
| C14 | C12 | N11 | O13 | 179.4° | 180.0° |
| C12 | C14 | C15 | C16 | 176.6° | 62.9° |
| C12 | C14 | C15 | C19 | 123.3° | 119.9° |
| C12 | C14 | C15 | N20 | 120.4° | 120.2° |
| C12 | C14 | C19 | C18 | 171.7° | 62.9° |
| C12 | C14 | C19 | N20 | 119.8° | 120.2° |
| C14 | C12 | N11 | C8 | 178.9° | 180.0° |
| C14 | C12 | N11 | H11 | 1.1° | 0.1° |
| C12 | C14 | C15 | H151 | 63.2° | 177.2° |
| C12 | C14 | C15 | H152 | 56.3° | 57.0° |
| C12 | C14 | C19 | H191 | 51.4° | 57.0° |
| C12 | C14 | C19 | H192 | 68.0° | 177.2° |
| C12 | C14 | N20 | H201 | 180.0° | 60.0° |
| C12 | C14 | N20 | H202 | 60.0° | 176.1° |
| N11 | C12 | C14 | C15 | 53.3° | 81.5° |
| N11 | C12 | C14 | C19 | 69.4° | 158.9° |
| N11 | C12 | C14 | N20 | 172.0° | 38.7° |
| C12 | N11 | C8 | C7 | 129.0° | 155.0° |
| C12 | N11 | C8 | H11 | 180.0° | 179.9° |
| C12 | N11 | C8 | H8 | 10.4° | 35.0° |
| O13 | C12 | C14 | C15 | 127.3° | 98.5° |
| O13 | C12 | C14 | C19 | 110.0° | 21.1° |
| O13 | C12 | C14 | N20 | 8.6° | 141.4° |
| O13 | C12 | N11 | C8 | 1.7° | 0.0° |
| O13 | C12 | N11 | H11 | 178.3° | 179.9° |
| C16 | C15 | C14 | H151 | 120.3° | 119.9° |
| C16 | C15 | C14 | H152 | 120.3° | 119.9° |
| C16 | C15 | C14 | C19 | 53.3° | 57.0° |
| C15 | C16 | O17 | H161 | 120.0° | 120.0° |
| C15 | C16 | O17 | H162 | 120.0° | 120.0° |
| C15 | C16 | O17 | C18 | 62.9° | 61.1° |
| C16 | C15 | C14 | N20 | 63.0° | 176.9° |
| C16 | C15 | H151 | H152 | 119.2° | 120.1° |
| C15 | C16 | H161 | H162 | 120.1° | 120.1° |
| C15 | C14 | C19 | C18 | 47.1° | 56.9° |
| C15 | C14 | C19 | N20 | 115.6° | 119.9° |
| C14 | C15 | C16 | O17 | 61.8° | 57.6° |
| C14 | C15 | H151 | H152 | 119.2° | 120.2° |
| C14 | C15 | C16 | H161 | 178.2° | 62.4° |
| C14 | C15 | C16 | H162 | 58.2° | 177.6° |
| C15 | C14 | C19 | H191 | 73.2° | 176.8° |
| C15 | C14 | C19 | H192 | 167.5° | 62.9° |
| C15 | C14 | N20 | H201 | 57.7° | 179.9° |
| C15 | C14 | N20 | H202 | 62.3° | 55.9° |
| C18 | C19 | C14 | H191 | 120.3° | 119.9° |
| C18 | C19 | C14 | H192 | 120.3° | 119.9° |
| C19 | C18 | O17 | C16 | 59.0° | 61.1° |
| C19 | C18 | O17 | H181 | 120.7° | 120.0° |
| C19 | C18 | O17 | H182 | 120.7° | 120.0° |
| C18 | C19 | C14 | N20 | 68.5° | 176.9° |
| C18 | C19 | H191 | H192 | 119.1° | 120.2° |
| C19 | C18 | H181 | H182 | 117.9° | 120.0° |
| C14 | C19 | C18 | O17 | 51.3° | 57.6° |
| C19 | C14 | C15 | H151 | 173.5° | 62.9° |
| C19 | C14 | C15 | H152 | 67.0° | 176.9° |
| C14 | C19 | H191 | H192 | 119.0° | 120.1° |
| C14 | C19 | C18 | H181 | 69.4° | 177.6° |
| C14 | C19 | C18 | H182 | 172.0° | 62.4° |
| C19 | C14 | N20 | H201 | 59.7° | 60.2° |
| C19 | C14 | N20 | H202 | 179.7° | 63.7° |
| O17 | C16 | C15 | H151 | 178.0° | 62.3° |
| O17 | C16 | C15 | H152 | 58.5° | 177.5° |
| O17 | C16 | H161 | H162 | 120.1° | 120.0° |
| C16 | O17 | C18 | H181 | 61.7° | 178.9° |
| C16 | O17 | C18 | H182 | 179.7° | 58.9° |
| C18 | O17 | C16 | H161 | 177.1° | 58.9° |
| C18 | O17 | C16 | H162 | 57.1° | 178.9° |
| O17 | C18 | C19 | H191 | 69.0° | 177.5° |
| O17 | C18 | C19 | H192 | 171.6° | 62.3° |
| O17 | C18 | H181 | H182 | 117.9° | 120.0° |
| N20 | C14 | C15 | H151 | 57.2° | 57.1° |
| N20 | C14 | C15 | H152 | 176.7° | 63.1° |
| N20 | C14 | C19 | H191 | 171.2° | 63.2° |
| N20 | C14 | C19 | H192 | 51.9° | 57.0° |
| C14 | N20 | H201 | H202 | 120.0° | 124.0° |
| C7 | C8 | N11 | H8 | 118.6° | 120.0° |
| C8 | C7 | H71C | H72C | 119.5° | 120.0° |
| C7 | C8 | N11 | H11 | 51.0° | 24.9° |
| N11 | C8 | C7 | H71C | 166.1° | 175.0° |
| N11 | C8 | C7 | H72C | 74.2° | 55.0° |
| H8 | C8 | C7 | H71C | 47.1° | 64.9° |
| H8 | C8 | C7 | H72C | 166.7° | 175.0° |
| H8 | C8 | N11 | H11 | 169.6° | 144.9° |
| H23 | C23 | C22 | H22 | 0.3° | 0.3° |
| H25 | C25 | C26 | H26 | 0.2° | 0.0° |
| H2 | C2 | C1 | H1 | 0.3° | 0.4° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H151 | C15 | C16 | H161 | 58.0° | 177.7° |
| H151 | C15 | C16 | H162 | 62.1° | 57.7° |
| H152 | C15 | C16 | H161 | 61.5° | 57.6° |
| H152 | C15 | C16 | H162 | 178.5° | 62.5° |
| H191 | C19 | C18 | H181 | 170.3° | 62.5° |
| H191 | C19 | C18 | H182 | 51.6° | 57.5° |
| H192 | C19 | C18 | H181 | 50.9° | 57.7° |
| H192 | C19 | C18 | H182 | 67.7° | 177.7° |
