UGX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.21Å | 1.23Å | |
| C12 | N14 | sing | 1.35Å | 1.33Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| N14 | C21 | sing | 1.47Å | 1.47Å | |
| C21 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C24 | sing | 1.53Å | 1.53Å | |
| C15 | C23 | sing | 1.53Å | 1.52Å | |
| C15 | C22 | sing | 1.53Å | 1.54Å | |
| C11 | C6 | sing | 1.53Å | 1.54Å | |
| C6 | N5 | sing | 1.47Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| N5 | C1 | sing | 1.35Å | 1.33Å | Aromatic |
| N5 | C4 | sing | 1.39Å | 1.35Å | Aromatic |
| C1 | C3 | doub | 1.37Å | 1.38Å | Aromatic |
| C7 | N8 | sing | 1.46Å | 1.47Å | |
| N8 | C9 | sing | 1.35Å | 1.33Å | |
| C9 | O10 | doub | 1.22Å | 1.23Å | |
| C9 | C4 | sing | 1.47Å | 1.49Å | |
| C4 | C2 | doub | 1.35Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.41Å | 1.38Å | Aromatic |
| C3 | C16 | sing | 1.49Å | 1.50Å | |
| C16 | C18 | doub | 1.34Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.39Å | Aromatic |
| C18 | S20 | sing | 1.76Å | 1.74Å | Aromatic |
| S20 | C19 | sing | 1.76Å | 1.74Å | Aromatic |
| C19 | C17 | doub | 1.33Å | 1.38Å | Aromatic |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | N14 | 122.1° | 120.0° |
| O13 | C12 | C11 | 121.4° | 120.0° |
| N14 | C12 | C11 | 116.4° | 120.0° |
| C12 | N14 | C21 | 126.1° | 120.0° |
| C12 | N14 | H14 | 116.9° | 120.0° |
| C12 | C11 | C6 | 113.5° | 109.5° |
| C12 | C11 | H111 | 108.5° | 109.5° |
| C12 | C11 | H112 | 108.5° | 109.5° |
| N14 | C21 | C15 | 115.0° | 109.5° |
| C21 | N14 | H14 | 116.9° | 120.0° |
| N14 | C21 | H211 | 108.1° | 109.4° |
| N14 | C21 | H212 | 108.1° | 109.4° |
| C21 | C15 | C24 | 108.8° | 109.5° |
| C21 | C15 | C23 | 111.9° | 109.5° |
| C21 | C15 | C22 | 108.8° | 109.5° |
| C15 | C21 | H211 | 108.1° | 109.5° |
| C15 | C21 | H212 | 108.1° | 109.5° |
| C24 | C15 | C23 | 108.0° | 109.5° |
| C24 | C15 | C22 | 109.3° | 109.5° |
| C15 | C24 | H241 | 109.5° | 109.5° |
| C15 | C24 | H242 | 109.5° | 109.5° |
| C15 | C24 | H243 | 109.5° | 109.5° |
| C23 | C15 | C22 | 109.9° | 109.5° |
| C15 | C23 | H231 | 109.5° | 109.5° |
| C15 | C23 | H232 | 109.4° | 109.5° |
| C15 | C23 | H233 | 109.5° | 109.5° |
| C15 | C22 | H221 | 109.5° | 109.5° |
| C15 | C22 | H222 | 109.5° | 109.5° |
| C15 | C22 | H223 | 109.5° | 109.4° |
| C11 | C6 | N5 | 113.4° | 109.5° |
| C11 | C6 | C7 | 107.7° | 109.5° |
| C6 | C11 | H111 | 108.5° | 109.5° |
| C6 | C11 | H112 | 108.4° | 109.4° |
| C11 | C6 | H6 | 108.3° | 109.5° |
| N5 | C6 | C7 | 110.5° | 109.2° |
| C6 | N5 | C1 | 128.5° | 130.0° |
| C6 | N5 | C4 | 122.1° | 121.4° |
| N5 | C6 | H6 | 108.7° | 109.6° |
| C6 | C7 | N8 | 109.9° | 112.7° |
| C7 | C6 | H6 | 108.2° | 109.6° |
| C6 | C7 | H71C | 109.4° | 108.8° |
| C6 | C7 | H72C | 109.3° | 108.9° |
| C1 | N5 | C4 | 109.4° | 108.6° |
| N5 | C1 | C3 | 105.3° | 108.4° |
| N5 | C1 | H1 | 127.4° | 125.8° |
| N5 | C4 | C9 | 121.1° | 120.7° |
| N5 | C4 | C2 | 111.0° | 108.4° |
| C1 | C3 | C2 | 112.5° | 107.7° |
| C1 | C3 | C16 | 123.8° | 126.1° |
| C3 | C1 | H1 | 127.3° | 125.8° |
| C7 | N8 | C9 | 125.7° | 122.0° |
| N8 | C7 | H71C | 109.4° | 108.8° |
| N8 | C7 | H72C | 109.4° | 108.8° |
| C7 | N8 | H8 | 117.1° | 119.0° |
| N8 | C9 | O10 | 123.2° | 121.9° |
| N8 | C9 | C4 | 115.5° | 116.3° |
| C9 | N8 | H8 | 117.1° | 119.0° |
| O10 | C9 | C4 | 121.3° | 121.8° |
| C9 | C4 | C2 | 127.9° | 130.9° |
| C4 | C2 | C3 | 101.8° | 106.9° |
| C4 | C2 | H2 | 129.1° | 126.5° |
| C2 | C3 | C16 | 123.6° | 126.2° |
| C3 | C2 | H2 | 129.1° | 126.6° |
| C3 | C16 | C18 | 120.9° | 122.8° |
| C3 | C16 | C17 | 121.0° | 122.8° |
| C18 | C16 | C17 | 118.0° | 114.5° |
| C16 | C18 | S20 | 106.7° | 109.6° |
| C16 | C18 | H18 | 126.6° | 125.2° |
| C16 | C17 | C19 | 110.9° | 114.9° |
| C16 | C17 | H17 | 124.6° | 122.5° |
| C18 | S20 | C19 | 93.7° | 91.1° |
| S20 | C18 | H18 | 126.6° | 125.2° |
| S20 | C19 | C17 | 110.7° | 109.9° |
| S20 | C19 | H19 | 124.6° | 125.0° |
| C19 | C17 | H17 | 124.6° | 122.6° |
| C17 | C19 | H19 | 124.7° | 125.1° |
| H111 | C11 | H112 | 109.4° | 109.4° |
| H211 | C21 | H212 | 109.4° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.4° |
| H242 | C24 | H243 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.4° |
| H232 | C23 | H233 | 109.5° | 109.4° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H223 | 109.5° | 109.4° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | N14 | C11 | 178.0° | 179.7° |
| O13 | C12 | N14 | C21 | 2.8° | 0.0° |
| O13 | C12 | C11 | C6 | 25.1° | 0.0° |
| O13 | C12 | N14 | H14 | 177.2° | 180.0° |
| O13 | C12 | C11 | H111 | 95.5° | 120.0° |
| O13 | C12 | C11 | H112 | 145.7° | 120.0° |
| C12 | N14 | C21 | H14 | 180.0° | 180.0° |
| C12 | N14 | C21 | C15 | 121.5° | 180.0° |
| N14 | C12 | C11 | C6 | 152.9° | 179.7° |
| N14 | C12 | C11 | H111 | 86.4° | 60.3° |
| N14 | C12 | C11 | H112 | 32.4° | 59.7° |
| C12 | N14 | C21 | H211 | 117.6° | 60.0° |
| C12 | N14 | C21 | H212 | 0.7° | 60.0° |
| C11 | C12 | N14 | C21 | 179.2° | 179.7° |
| C12 | C11 | C6 | H111 | 120.6° | 120.0° |
| C12 | C11 | C6 | H112 | 120.6° | 120.0° |
| C12 | C11 | C6 | N5 | 70.5° | 175.0° |
| C12 | C11 | C6 | C7 | 167.0° | 65.4° |
| C11 | C12 | N14 | H14 | 0.8° | 0.3° |
| C12 | C11 | H111 | H112 | 118.2° | 120.0° |
| C12 | C11 | C6 | H6 | 50.2° | 54.8° |
| N14 | C21 | C15 | H211 | 120.8° | 120.0° |
| N14 | C21 | C15 | H212 | 120.8° | 120.0° |
| N14 | C21 | C15 | C24 | 58.0° | 60.0° |
| N14 | C21 | C15 | C23 | 61.2° | 180.0° |
| N14 | C21 | C15 | C22 | 177.1° | 60.0° |
| N14 | C21 | H211 | H212 | 117.5° | 119.9° |
| C21 | C15 | C24 | C23 | 121.7° | 120.0° |
| C21 | C15 | C24 | C22 | 118.7° | 120.0° |
| C21 | C15 | C23 | C22 | 121.1° | 120.0° |
| C15 | C21 | N14 | H14 | 58.4° | 0.0° |
| C15 | C21 | H211 | H212 | 117.5° | 120.1° |
| C21 | C15 | C24 | H241 | 180.0° | 60.0° |
| C21 | C15 | C24 | H242 | 60.0° | 180.0° |
| C21 | C15 | C24 | H243 | 60.0° | 60.0° |
| C21 | C15 | C23 | H231 | 180.0° | 60.0° |
| C21 | C15 | C23 | H232 | 60.0° | 180.0° |
| C21 | C15 | C23 | H233 | 60.0° | 60.0° |
| C21 | C15 | C22 | H221 | 180.0° | 60.0° |
| C21 | C15 | C22 | H222 | 60.0° | 180.0° |
| C21 | C15 | C22 | H223 | 60.0° | 59.9° |
| C24 | C15 | C23 | C22 | 119.2° | 120.0° |
| C24 | C15 | C21 | H211 | 62.8° | 60.0° |
| C24 | C15 | C21 | H212 | 178.8° | 180.0° |
| C15 | C24 | H241 | H242 | 120.0° | 120.1° |
| C15 | C24 | H241 | H243 | 120.0° | 120.0° |
| C15 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | C15 | C23 | H231 | 60.3° | 180.0° |
| C24 | C15 | C23 | H232 | 179.7° | 60.0° |
| C24 | C15 | C23 | H233 | 59.7° | 60.0° |
| C24 | C15 | C22 | H221 | 61.3° | 60.0° |
| C24 | C15 | C22 | H222 | 58.7° | 60.0° |
| C24 | C15 | C22 | H223 | 178.7° | 180.0° |
| C23 | C15 | C21 | H211 | 178.0° | 60.1° |
| C23 | C15 | C21 | H212 | 59.6° | 60.0° |
| C23 | C15 | C24 | H241 | 58.3° | 60.0° |
| C23 | C15 | C24 | H242 | 61.7° | 60.0° |
| C23 | C15 | C24 | H243 | 178.3° | 180.0° |
| C15 | C23 | H231 | H232 | 120.0° | 120.1° |
| C15 | C23 | H231 | H233 | 120.0° | 120.0° |
| C15 | C23 | H232 | H233 | 120.0° | 120.0° |
| C23 | C15 | C22 | H221 | 57.1° | 180.0° |
| C23 | C15 | C22 | H222 | 177.0° | 60.0° |
| C23 | C15 | C22 | H223 | 63.0° | 60.1° |
| C22 | C15 | C21 | H211 | 56.2° | 180.0° |
| C22 | C15 | C21 | H212 | 62.1° | 60.0° |
| C22 | C15 | C24 | H241 | 61.2° | 180.0° |
| C22 | C15 | C24 | H242 | 178.7° | 60.0° |
| C22 | C15 | C24 | H243 | 58.7° | 60.0° |
| C22 | C15 | C23 | H231 | 58.9° | 60.0° |
| C22 | C15 | C23 | H232 | 61.1° | 60.0° |
| C22 | C15 | C23 | H233 | 178.9° | 180.0° |
| C15 | C22 | H221 | H222 | 120.0° | 120.0° |
| C15 | C22 | H221 | H223 | 120.0° | 119.9° |
| C15 | C22 | H222 | H223 | 120.0° | 120.0° |
| C11 | C6 | N5 | C7 | 120.9° | 119.8° |
| C11 | C6 | N5 | H6 | 120.5° | 120.1° |
| C11 | C6 | C7 | H6 | 116.9° | 120.1° |
| C11 | C6 | N5 | C1 | 32.7° | 90.1° |
| C11 | C6 | N5 | C4 | 148.7° | 90.0° |
| C11 | C6 | C7 | N8 | 167.0° | 72.7° |
| C6 | C11 | H111 | H112 | 118.1° | 120.0° |
| C11 | C6 | C7 | H71C | 72.9° | 166.5° |
| C11 | C6 | C7 | H72C | 46.9° | 48.2° |
| N5 | C6 | C7 | H6 | 118.9° | 120.0° |
| C6 | N5 | C1 | C4 | 178.8° | 180.0° |
| C6 | N5 | C1 | C3 | 178.8° | 179.9° |
| N5 | C6 | C7 | N8 | 42.7° | 47.2° |
| C6 | N5 | C4 | C9 | 1.3° | 0.2° |
| C6 | N5 | C4 | C2 | 179.4° | 179.9° |
| N5 | C6 | C11 | H111 | 168.9° | 65.0° |
| N5 | C6 | C11 | H112 | 50.1° | 55.0° |
| N5 | C6 | C7 | H71C | 162.8° | 73.6° |
| N5 | C6 | C7 | H72C | 77.4° | 168.1° |
| C6 | N5 | C1 | H1 | 1.3° | 0.1° |
| C7 | C6 | N5 | C1 | 153.6° | 150.1° |
| C7 | C6 | N5 | C4 | 27.7° | 29.9° |
| C6 | C7 | N8 | H71C | 120.1° | 120.8° |
| C6 | C7 | N8 | H72C | 120.1° | 120.9° |
| C6 | C7 | N8 | C9 | 39.1° | 38.6° |
| C7 | C6 | C11 | H111 | 46.4° | 54.7° |
| C7 | C6 | C11 | H112 | 72.4° | 174.6° |
| C6 | C7 | H71C | H72C | 119.8° | 118.4° |
| C6 | C7 | N8 | H8 | 140.9° | 141.4° |
| N5 | C1 | C3 | H1 | 180.0° | 179.9° |
| C1 | N5 | C4 | C9 | 179.8° | 179.9° |
| C1 | N5 | C4 | C2 | 0.5° | 0.1° |
| N5 | C1 | C3 | C2 | 0.5° | 0.0° |
| N5 | C1 | C3 | C16 | 177.8° | 180.0° |
| C1 | N5 | C6 | H6 | 87.8° | 30.0° |
| C4 | N5 | C1 | C3 | 0.0° | 0.1° |
| N5 | C4 | C9 | N8 | 8.3° | 13.5° |
| N5 | C4 | C9 | O10 | 171.3° | 166.5° |
| N5 | C4 | C9 | C2 | 179.2° | 180.0° |
| N5 | C4 | C2 | C3 | 0.8° | 0.1° |
| C4 | N5 | C6 | H6 | 90.8° | 149.9° |
| C4 | N5 | C1 | H1 | 180.0° | 179.9° |
| N5 | C4 | C2 | H2 | 179.2° | 179.9° |
| C1 | C3 | C2 | C4 | 0.8° | 0.0° |
| C1 | C3 | C2 | C16 | 177.3° | 180.0° |
| C1 | C3 | C16 | C18 | 11.5° | 0.0° |
| C1 | C3 | C16 | C17 | 165.5° | 179.7° |
| C1 | C3 | C2 | H2 | 179.2° | 179.9° |
| C7 | N8 | C9 | H8 | 180.0° | 180.0° |
| C7 | N8 | C9 | O10 | 167.6° | 172.7° |
| C7 | N8 | C9 | C4 | 12.8° | 7.3° |
| N8 | C7 | C6 | H6 | 76.1° | 167.2° |
| N8 | C7 | H71C | H72C | 119.8° | 118.4° |
| N8 | C9 | O10 | C4 | 179.6° | 180.0° |
| N8 | C9 | C4 | C2 | 170.9° | 166.5° |
| C9 | N8 | C7 | H71C | 159.1° | 82.2° |
| C9 | N8 | C7 | H72C | 81.0° | 159.5° |
| O10 | C9 | C4 | C2 | 9.5° | 13.5° |
| O10 | C9 | N8 | H8 | 12.4° | 7.3° |
| C9 | C4 | C2 | C3 | 180.0° | 179.9° |
| C4 | C9 | N8 | H8 | 167.2° | 172.7° |
| C9 | C4 | C2 | H2 | 0.0° | 0.1° |
| C4 | C2 | C3 | H2 | 180.0° | 180.0° |
| C4 | C2 | C3 | C16 | 178.1° | 180.0° |
| C2 | C3 | C16 | C18 | 171.5° | 180.0° |
| C2 | C3 | C16 | C17 | 11.5° | 0.3° |
| C2 | C3 | C1 | H1 | 179.4° | 179.9° |
| C3 | C16 | C18 | C17 | 177.1° | 179.7° |
| C3 | C16 | C18 | S20 | 177.3° | 180.0° |
| C3 | C16 | C17 | C19 | 177.6° | 179.7° |
| C16 | C3 | C1 | H1 | 2.2° | 0.1° |
| C16 | C3 | C2 | H2 | 1.9° | 0.0° |
| C3 | C16 | C18 | H18 | 2.7° | 0.0° |
| C3 | C16 | C17 | H17 | 2.4° | 0.1° |
| C16 | C18 | S20 | H18 | 180.0° | 180.0° |
| C16 | C18 | S20 | C19 | 0.1° | 0.1° |
| C18 | C16 | C17 | C19 | 0.6° | 0.5° |
| C18 | C16 | C17 | H17 | 179.4° | 179.8° |
| C17 | C16 | C18 | S20 | 0.2° | 0.2° |
| C16 | C17 | C19 | S20 | 0.6° | 0.6° |
| C16 | C17 | C19 | H17 | 180.0° | 179.7° |
| C17 | C16 | C18 | H18 | 179.7° | 179.7° |
| C16 | C17 | C19 | H19 | 179.4° | 179.8° |
| C18 | S20 | C19 | C17 | 0.4° | 0.3° |
| C18 | S20 | C19 | H19 | 179.6° | 180.0° |
| S20 | C19 | C17 | H19 | 180.0° | 179.7° |
| C19 | S20 | C18 | H18 | 179.9° | 180.0° |
| S20 | C19 | C17 | H17 | 179.4° | 179.8° |
| H14 | N14 | C21 | H211 | 62.4° | 120.0° |
| H14 | N14 | C21 | H212 | 179.3° | 120.0° |
| H111 | C11 | C6 | H6 | 70.4° | 174.9° |
| H112 | C11 | C6 | H6 | 170.8° | 65.2° |
| H241 | C24 | H242 | H243 | 120.0° | 119.8° |
| H231 | C23 | H232 | H233 | 120.0° | 119.9° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| H6 | C6 | C7 | H71C | 43.9° | 46.4° |
| H6 | C6 | C7 | H72C | 163.8° | 71.9° |
| H71C | C7 | N8 | H8 | 20.9° | 97.8° |
| H72C | C7 | N8 | H8 | 99.0° | 20.5° |
| H17 | C17 | C19 | H19 | 0.6° | 0.1° |
