UYM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.39Å | 1.42Å | Aromatic |
| C8 | C7 | sing | 1.37Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.44Å | Aromatic |
| C6 | C3 | sing | 1.46Å | 1.38Å | Aromatic |
| C5 | N | sing | 1.38Å | 1.43Å | Aromatic |
| O | C | doub | 1.21Å | 1.20Å | |
| C3 | C2 | sing | 1.51Å | 1.58Å | |
| C3 | C4 | doub | 1.34Å | 1.30Å | Aromatic |
| C1 | C | sing | 1.50Å | 1.54Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | N1 | sing | 1.46Å | 1.45Å | |
| N | C4 | sing | 1.37Å | 1.32Å | Aromatic |
| C | N2 | sing | 1.34Å | 1.45Å | |
| N1 | C15 | sing | 1.34Å | 1.45Å | |
| N2 | C11 | sing | 1.46Å | 1.44Å | |
| C15 | C11 | sing | 1.50Å | 1.53Å | |
| C15 | O1 | doub | 1.21Å | 1.18Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C35 | C34 | doub | 1.34Å | 1.27Å | Aromatic |
| C35 | N36 | sing | 1.37Å | 1.42Å | Aromatic |
| C12 | C34 | sing | 1.51Å | 1.58Å | |
| C34 | C38 | sing | 1.47Å | 1.27Å | Aromatic |
| N36 | C37 | sing | 1.38Å | 1.50Å | Aromatic |
| C38 | C37 | doub | 1.41Å | 1.39Å | Aromatic |
| C38 | C39 | sing | 1.40Å | 1.41Å | Aromatic |
| C37 | C42 | sing | 1.39Å | 1.41Å | Aromatic |
| C39 | C40 | doub | 1.37Å | 1.41Å | Aromatic |
| C42 | C41 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C41 | sing | 1.39Å | 1.39Å | Aromatic |
| N | H1 | sing | 0.97Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C35 | H9 | sing | 1.08Å | 1.08Å | |
| C39 | H10 | sing | 1.08Å | 1.08Å | |
| C4 | H11 | sing | 1.08Å | 1.08Å | |
| C40 | H12 | sing | 1.08Å | 1.08Å | |
| C41 | H13 | sing | 1.08Å | 1.08Å | |
| C42 | H14 | sing | 1.08Å | 1.08Å | |
| C7 | H15 | sing | 1.08Å | 1.08Å | |
| C8 | H16 | sing | 1.08Å | 1.08Å | |
| C9 | H17 | sing | 1.08Å | 1.08Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| N2 | H19 | sing | 0.97Å | 1.00Å | |
| N36 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.1° | 120.5° |
| C8 | C9 | C10 | 119.0° | 120.7° |
| C9 | C8 | H16 | 120.0° | 119.7° |
| C8 | C9 | H17 | 120.5° | 119.7° |
| C8 | C7 | C6 | 121.7° | 119.8° |
| C8 | C7 | H15 | 119.1° | 120.1° |
| C7 | C8 | H16 | 119.9° | 119.8° |
| C9 | C10 | C5 | 120.6° | 119.8° |
| C9 | C10 | H3 | 119.7° | 120.1° |
| C10 | C9 | H17 | 120.5° | 119.7° |
| C7 | C6 | C5 | 118.0° | 119.9° |
| C7 | C6 | C3 | 136.6° | 134.0° |
| C6 | C7 | H15 | 119.2° | 120.1° |
| C10 | C5 | C6 | 120.5° | 119.3° |
| C10 | C5 | N | 139.9° | 133.5° |
| C5 | C10 | H3 | 119.7° | 120.1° |
| C5 | C6 | C3 | 105.4° | 106.0° |
| C6 | C5 | N | 99.6° | 107.2° |
| C6 | C3 | C2 | 124.3° | 126.5° |
| C6 | C3 | C4 | 115.9° | 107.0° |
| C5 | N | C4 | 116.6° | 109.9° |
| C5 | N | H1 | 121.7° | 125.1° |
| O | C | C1 | 118.3° | 118.6° |
| O | C | N2 | 120.3° | 118.7° |
| C2 | C3 | C4 | 119.8° | 126.5° |
| C3 | C2 | C1 | 112.1° | 109.5° |
| C3 | C2 | H7 | 108.8° | 109.5° |
| C3 | C2 | H8 | 108.8° | 109.5° |
| C3 | C4 | N | 102.5° | 109.9° |
| C3 | C4 | H11 | 128.7° | 125.0° |
| C | C1 | C2 | 109.9° | 109.1° |
| C | C1 | N1 | 112.1° | 111.3° |
| C1 | C | N2 | 121.4° | 122.7° |
| C | C1 | H2 | 107.8° | 109.1° |
| C2 | C1 | N1 | 110.3° | 109.1° |
| C2 | C1 | H2 | 107.8° | 109.1° |
| C1 | C2 | H7 | 108.8° | 109.5° |
| C1 | C2 | H8 | 108.8° | 109.4° |
| C1 | N1 | C15 | 125.9° | 122.8° |
| N1 | C1 | H2 | 108.9° | 109.1° |
| C1 | N1 | H18 | 117.0° | 118.6° |
| C4 | N | H1 | 121.7° | 125.0° |
| N | C4 | H11 | 128.7° | 125.1° |
| C | N2 | C11 | 126.4° | 122.8° |
| C | N2 | H19 | 116.8° | 118.6° |
| N1 | C15 | C11 | 121.9° | 122.7° |
| N1 | C15 | O1 | 119.4° | 118.7° |
| C15 | N1 | H18 | 117.1° | 118.6° |
| N2 | C11 | C15 | 111.9° | 111.2° |
| N2 | C11 | C12 | 112.8° | 109.5° |
| N2 | C11 | H4 | 109.2° | 108.8° |
| C11 | N2 | H19 | 116.8° | 118.6° |
| C11 | C15 | O1 | 118.7° | 118.7° |
| C15 | C11 | C12 | 107.1° | 109.0° |
| C15 | C11 | H4 | 108.0° | 109.1° |
| C11 | C12 | C34 | 115.3° | 109.4° |
| C12 | C11 | H4 | 107.7° | 109.1° |
| C11 | C12 | H5 | 108.0° | 109.4° |
| C11 | C12 | H6 | 108.0° | 109.5° |
| C34 | C35 | N36 | 106.7° | 110.0° |
| C35 | C34 | C12 | 117.4° | 126.5° |
| C35 | C34 | C38 | 118.0° | 107.0° |
| C34 | C35 | H9 | 126.7° | 125.0° |
| C35 | N36 | C37 | 103.6° | 109.9° |
| N36 | C35 | H9 | 126.7° | 125.0° |
| C35 | N36 | H20 | 128.2° | 125.1° |
| C12 | C34 | C38 | 124.6° | 126.5° |
| C34 | C12 | H5 | 108.0° | 109.5° |
| C34 | C12 | H6 | 108.0° | 109.5° |
| C34 | C38 | C37 | 107.7° | 106.0° |
| C34 | C38 | C39 | 133.5° | 134.0° |
| N36 | C37 | C38 | 104.0° | 107.2° |
| N36 | C37 | C42 | 134.8° | 133.5° |
| C37 | N36 | H20 | 128.2° | 125.0° |
| C37 | C38 | C39 | 118.8° | 120.0° |
| C38 | C37 | C42 | 121.2° | 119.3° |
| C38 | C39 | C40 | 120.0° | 119.7° |
| C38 | C39 | H10 | 120.0° | 120.1° |
| C37 | C42 | C41 | 119.5° | 119.8° |
| C37 | C42 | H14 | 120.3° | 120.1° |
| C39 | C40 | C41 | 120.5° | 120.5° |
| C40 | C39 | H10 | 120.0° | 120.1° |
| C39 | C40 | H12 | 119.7° | 119.7° |
| C42 | C41 | C40 | 120.0° | 120.7° |
| C42 | C41 | H13 | 120.0° | 119.7° |
| C41 | C42 | H14 | 120.2° | 120.2° |
| C41 | C40 | H12 | 119.8° | 119.7° |
| C40 | C41 | H13 | 120.0° | 119.7° |
| H5 | C12 | H6 | 109.4° | 109.5° |
| H7 | C2 | H8 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H16 | 180.0° | 179.9° |
| C8 | C9 | C10 | H17 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.0° | 0.1° |
| C8 | C9 | C10 | C5 | 0.0° | 0.1° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C9 | C8 | C7 | H15 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.0° | 0.1° |
| C8 | C7 | C6 | H15 | 180.0° | 179.9° |
| C8 | C7 | C6 | C5 | 0.1° | 0.1° |
| C8 | C7 | C6 | C3 | 179.5° | 179.6° |
| C7 | C8 | C9 | H17 | 180.0° | 180.0° |
| C9 | C10 | C5 | H3 | 180.0° | 179.9° |
| C9 | C10 | C5 | C6 | 0.1° | 0.1° |
| C9 | C10 | C5 | N | 179.5° | 180.0° |
| C10 | C9 | C8 | H16 | 180.0° | 179.9° |
| C7 | C6 | C5 | C10 | 0.2° | 0.0° |
| C7 | C6 | C5 | C3 | 179.5° | 179.8° |
| C7 | C6 | C5 | N | 179.6° | 180.0° |
| C7 | C6 | C3 | C2 | 0.5° | 0.3° |
| C7 | C6 | C3 | C4 | 179.7° | 179.9° |
| C6 | C7 | C8 | H16 | 180.0° | 180.0° |
| C10 | C5 | C6 | N | 179.8° | 180.0° |
| C10 | C5 | C6 | C3 | 179.7° | 179.7° |
| C10 | C5 | N | C4 | 179.8° | 179.9° |
| C10 | C5 | N | H1 | 0.2° | 0.2° |
| C5 | C10 | C9 | H17 | 180.0° | 180.0° |
| C5 | C6 | C3 | C2 | 179.9° | 180.0° |
| C5 | C6 | C3 | C4 | 0.3° | 0.4° |
| C6 | C5 | N | C4 | 0.2° | 0.0° |
| C6 | C5 | N | H1 | 179.9° | 179.8° |
| C6 | C5 | C10 | H3 | 179.9° | 180.0° |
| C5 | C6 | C7 | H15 | 179.9° | 180.0° |
| C3 | C6 | C5 | N | 0.1° | 0.2° |
| C6 | C3 | C2 | C4 | 179.8° | 179.5° |
| C6 | C3 | C2 | C1 | 103.3° | 85.5° |
| C6 | C3 | C4 | N | 0.3° | 0.4° |
| C6 | C3 | C2 | H7 | 17.1° | 34.5° |
| C6 | C3 | C2 | H8 | 136.3° | 154.5° |
| C6 | C3 | C4 | H11 | 179.7° | 179.6° |
| C3 | C6 | C7 | H15 | 0.5° | 0.3° |
| C5 | N | C4 | C3 | 0.3° | 0.2° |
| C5 | N | C4 | H1 | 180.0° | 179.8° |
| N | C5 | C10 | H3 | 0.5° | 0.1° |
| C5 | N | C4 | H11 | 179.7° | 179.7° |
| O | C | C1 | N2 | 179.3° | 179.7° |
| O | C | C1 | C2 | 63.0° | 79.5° |
| O | C | C1 | N1 | 174.0° | 160.0° |
| O | C | N2 | C11 | 179.9° | 180.0° |
| O | C | C1 | H2 | 54.2° | 39.6° |
| O | C | N2 | H19 | 0.1° | 0.1° |
| C3 | C2 | C1 | C | 171.8° | 175.0° |
| C3 | C2 | C1 | H7 | 120.4° | 120.1° |
| C3 | C2 | C1 | H8 | 120.4° | 120.0° |
| C3 | C2 | C1 | N1 | 64.2° | 63.2° |
| C2 | C3 | C4 | N | 179.9° | 180.0° |
| C3 | C2 | C1 | H2 | 54.6° | 55.8° |
| C3 | C2 | H7 | H8 | 118.8° | 120.0° |
| C2 | C3 | C4 | H11 | 0.1° | 0.0° |
| C4 | C3 | C2 | C1 | 76.9° | 94.9° |
| C3 | C4 | N | H11 | 180.0° | 180.0° |
| C3 | C4 | N | H1 | 179.7° | 180.0° |
| C4 | C3 | C2 | H7 | 162.7° | 145.0° |
| C4 | C3 | C2 | H8 | 43.5° | 25.0° |
| C | C1 | C2 | N1 | 124.1° | 121.8° |
| C | C1 | C2 | H2 | 117.2° | 119.2° |
| C | C1 | N1 | H2 | 119.1° | 120.4° |
| C | C1 | N1 | C15 | 5.8° | 19.4° |
| C1 | C | N2 | C11 | 0.8° | 0.3° |
| C | C1 | C2 | H7 | 51.3° | 64.9° |
| C | C1 | C2 | H8 | 67.8° | 55.0° |
| C | C1 | N1 | H18 | 174.2° | 160.5° |
| C1 | C | N2 | H19 | 179.2° | 179.6° |
| C2 | C1 | N1 | H2 | 118.1° | 119.1° |
| C2 | C1 | C | N2 | 117.7° | 100.8° |
| C2 | C1 | N1 | C15 | 117.0° | 101.0° |
| C1 | C2 | H7 | H8 | 118.8° | 119.9° |
| C2 | C1 | N1 | H18 | 63.0° | 79.0° |
| N1 | C1 | C | N2 | 5.3° | 19.7° |
| C1 | N1 | C15 | H18 | 180.0° | 180.0° |
| C1 | N1 | C15 | C11 | 0.4° | 0.1° |
| C1 | N1 | C15 | O1 | 179.9° | 179.8° |
| N1 | C1 | C2 | H7 | 175.4° | 56.9° |
| N1 | C1 | C2 | H8 | 56.2° | 176.8° |
| C | N2 | C11 | H19 | 180.0° | 180.0° |
| C | N2 | C11 | C15 | 6.2° | 19.9° |
| C | N2 | C11 | C12 | 114.6° | 100.8° |
| N2 | C | C1 | H2 | 125.1° | 140.1° |
| C | N2 | C11 | H4 | 125.7° | 140.1° |
| N1 | C15 | C11 | N2 | 5.7° | 20.1° |
| N1 | C15 | C11 | O1 | 179.6° | 179.9° |
| N1 | C15 | C11 | C12 | 118.4° | 100.8° |
| C15 | N1 | C1 | H2 | 125.0° | 139.9° |
| N1 | C15 | C11 | H4 | 125.8° | 140.1° |
| N2 | C11 | C15 | C12 | 124.1° | 120.9° |
| N2 | C11 | C15 | H4 | 120.2° | 120.0° |
| N2 | C11 | C15 | O1 | 173.9° | 159.9° |
| N2 | C11 | C12 | H4 | 120.6° | 119.0° |
| N2 | C11 | C12 | C34 | 50.4° | 64.0° |
| N2 | C11 | C12 | H5 | 171.3° | 56.0° |
| N2 | C11 | C12 | H6 | 70.5° | 176.1° |
| C15 | C11 | C12 | H4 | 115.9° | 119.1° |
| C15 | C11 | C12 | C34 | 73.1° | 174.1° |
| C15 | C11 | C12 | H5 | 47.7° | 65.9° |
| C15 | C11 | C12 | H6 | 166.0° | 54.1° |
| C11 | C15 | N1 | H18 | 179.6° | 179.9° |
| C15 | C11 | N2 | H19 | 173.8° | 160.1° |
| O1 | C15 | C11 | C12 | 62.0° | 79.3° |
| O1 | C15 | C11 | H4 | 53.7° | 39.8° |
| O1 | C15 | N1 | H18 | 0.1° | 0.2° |
| C11 | C12 | C34 | C35 | 89.9° | 94.7° |
| C11 | C12 | C34 | H5 | 120.9° | 119.9° |
| C11 | C12 | C34 | H6 | 120.9° | 120.0° |
| C11 | C12 | C34 | C38 | 92.2° | 85.0° |
| C11 | C12 | H5 | H6 | 117.3° | 120.1° |
| C12 | C11 | N2 | H19 | 65.4° | 79.3° |
| C34 | C35 | N36 | H9 | 180.0° | 179.9° |
| C35 | C34 | C12 | C38 | 177.9° | 179.7° |
| C34 | C35 | N36 | C37 | 1.4° | 0.1° |
| C35 | C34 | C38 | C37 | 1.6° | 0.2° |
| C35 | C34 | C38 | C39 | 179.0° | 179.8° |
| C35 | C34 | C12 | H5 | 149.2° | 145.3° |
| C35 | C34 | C12 | H6 | 31.0° | 25.3° |
| C34 | C35 | N36 | H20 | 178.6° | 180.0° |
| N36 | C35 | C34 | C12 | 180.0° | 180.0° |
| N36 | C35 | C34 | C38 | 2.0° | 0.2° |
| C35 | N36 | C37 | H20 | 180.0° | 179.9° |
| C35 | N36 | C37 | C38 | 0.6° | 0.1° |
| C35 | N36 | C37 | C42 | 179.3° | 179.8° |
| C12 | C34 | C38 | C37 | 179.5° | 180.0° |
| C12 | C34 | C38 | C39 | 1.1° | 0.0° |
| C34 | C12 | C11 | H4 | 171.0° | 55.1° |
| C34 | C12 | H5 | H6 | 117.3° | 120.0° |
| C12 | C34 | C35 | H9 | 0.0° | 0.1° |
| C34 | C38 | C37 | N36 | 0.5° | 0.2° |
| C34 | C38 | C37 | C39 | 179.5° | 180.0° |
| C34 | C38 | C37 | C42 | 179.6° | 180.0° |
| C34 | C38 | C39 | C40 | 179.1° | 180.0° |
| C38 | C34 | C12 | H5 | 28.6° | 34.9° |
| C38 | C34 | C12 | H6 | 146.9° | 155.0° |
| C38 | C34 | C35 | H9 | 178.0° | 179.7° |
| C34 | C38 | C39 | H10 | 0.9° | 0.1° |
| N36 | C37 | C38 | C42 | 179.9° | 179.8° |
| N36 | C37 | C38 | C39 | 180.0° | 179.8° |
| N36 | C37 | C42 | C41 | 179.7° | 179.8° |
| C37 | N36 | C35 | H9 | 178.6° | 179.8° |
| N36 | C37 | C42 | H14 | 0.3° | 0.3° |
| C37 | C38 | C39 | C40 | 0.2° | 0.0° |
| C38 | C37 | C42 | C41 | 0.4° | 0.1° |
| C37 | C38 | C39 | H10 | 179.8° | 180.0° |
| C38 | C37 | C42 | H14 | 179.5° | 180.0° |
| C38 | C37 | N36 | H20 | 179.4° | 179.8° |
| C39 | C38 | C37 | C42 | 0.1° | 0.1° |
| C38 | C39 | C40 | H10 | 180.0° | 180.0° |
| C38 | C39 | C40 | C41 | 0.3° | 0.0° |
| C38 | C39 | C40 | H12 | 179.7° | 179.9° |
| C37 | C42 | C41 | H14 | 180.0° | 179.9° |
| C37 | C42 | C41 | C40 | 0.4° | 0.1° |
| C37 | C42 | C41 | H13 | 179.6° | 180.0° |
| C42 | C37 | N36 | H20 | 0.7° | 0.1° |
| C39 | C40 | C41 | C42 | 0.0° | 0.0° |
| C39 | C40 | C41 | H12 | 180.0° | 179.9° |
| C39 | C40 | C41 | H13 | 180.0° | 179.9° |
| C42 | C41 | C40 | H13 | 180.0° | 179.9° |
| C42 | C41 | C40 | H12 | 180.0° | 179.9° |
| C41 | C40 | C39 | H10 | 179.7° | 180.0° |
| C40 | C41 | C42 | H14 | 179.6° | 180.0° |
| H1 | N | C4 | H11 | 0.2° | 0.1° |
| H2 | C1 | C2 | H7 | 65.8° | 175.9° |
| H2 | C1 | C2 | H8 | 175.0° | 64.2° |
| H2 | C1 | N1 | H18 | 55.0° | 40.1° |
| H3 | C10 | C9 | H17 | 0.0° | 0.1° |
| H4 | C11 | C12 | H5 | 68.2° | 175.0° |
| H4 | C11 | C12 | H6 | 50.1° | 64.9° |
| H4 | C11 | N2 | H19 | 54.4° | 39.9° |
| H9 | C35 | N36 | H20 | 1.4° | 0.1° |
| H10 | C39 | C40 | H12 | 0.3° | 0.0° |
| H12 | C40 | C41 | H13 | 0.0° | 0.0° |
| H13 | C41 | C42 | H14 | 0.4° | 0.1° |
| H15 | C7 | C8 | H16 | 0.0° | 0.1° |
| H16 | C8 | C9 | H17 | 0.0° | 0.1° |
