U7W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | N3 | doub | 1.29Å | 1.30Å | Aromatic |
| N4 | C11 | sing | 1.35Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | N2 | sing | 1.40Å | 1.36Å | Aromatic |
| C11 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| N2 | C10 | sing | 1.46Å | 1.44Å | |
| C16 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.53Å | |
| O1 | C9 | doub | 1.21Å | 1.22Å | |
| C9 | N1 | sing | 1.35Å | 1.35Å | |
| S1 | C6 | sing | 1.76Å | 1.73Å | Aromatic |
| S1 | C5 | sing | 1.76Å | 1.71Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.50Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| N1 | C8 | sing | 1.47Å | 1.46Å | |
| C6 | C3 | doub | 1.35Å | 1.36Å | Aromatic |
| C3 | C2 | sing | 1.52Å | 1.49Å | |
| C3 | C4 | sing | 1.39Å | 1.43Å | Aromatic |
| C5 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | N4 | C11 | 108.8° | 110.3° |
| N4 | N3 | N2 | 108.5° | 109.5° |
| N4 | C11 | C12 | 130.8° | 133.1° |
| N4 | C11 | C16 | 108.4° | 107.7° |
| C11 | C12 | C13 | 116.6° | 120.0° |
| C12 | C11 | C16 | 120.8° | 119.2° |
| C11 | C12 | H10 | 121.7° | 120.0° |
| C12 | C13 | C14 | 122.0° | 120.7° |
| C13 | C12 | H10 | 121.7° | 120.0° |
| C12 | C13 | H11 | 119.0° | 119.6° |
| N3 | N2 | C16 | 110.1° | 106.5° |
| N3 | N2 | C10 | 120.0° | 126.7° |
| C11 | C16 | N2 | 104.2° | 106.1° |
| C11 | C16 | C15 | 122.4° | 120.0° |
| C13 | C14 | C15 | 122.3° | 120.5° |
| C13 | C14 | H2 | 118.8° | 119.8° |
| C14 | C13 | H11 | 119.0° | 119.7° |
| C16 | N2 | C10 | 129.8° | 126.8° |
| N2 | C16 | C15 | 133.3° | 133.9° |
| N2 | C10 | C9 | 108.4° | 109.5° |
| N2 | C10 | H8 | 109.8° | 109.5° |
| N2 | C10 | H9 | 109.7° | 109.5° |
| C16 | C15 | C14 | 115.8° | 119.7° |
| C16 | C15 | H16 | 122.1° | 120.2° |
| C15 | C14 | H2 | 118.8° | 119.7° |
| C14 | C15 | H16 | 122.1° | 120.2° |
| C10 | C9 | O1 | 121.1° | 120.0° |
| C10 | C9 | N1 | 118.7° | 120.0° |
| C9 | C10 | H8 | 109.7° | 109.4° |
| C9 | C10 | H9 | 109.7° | 109.5° |
| O1 | C9 | N1 | 120.3° | 120.0° |
| C9 | N1 | C2 | 116.5° | 120.8° |
| C9 | N1 | C8 | 127.1° | 120.9° |
| C6 | S1 | C5 | 91.4° | 91.1° |
| S1 | C6 | C7 | 122.9° | 125.1° |
| S1 | C6 | C3 | 111.0° | 109.8° |
| S1 | C5 | C4 | 112.2° | 109.6° |
| S1 | C5 | H3 | 123.9° | 125.2° |
| C6 | C7 | C8 | 106.9° | 109.0° |
| C7 | C6 | C3 | 126.0° | 125.1° |
| C6 | C7 | H4 | 110.1° | 109.6° |
| C6 | C7 | H5 | 110.1° | 109.5° |
| C7 | C8 | N1 | 108.1° | 108.6° |
| C8 | C7 | H4 | 110.1° | 109.6° |
| C8 | C7 | H5 | 110.1° | 109.5° |
| C7 | C8 | H6 | 109.8° | 109.6° |
| C7 | C8 | H7 | 109.8° | 109.7° |
| C2 | N1 | C8 | 116.0° | 118.2° |
| N1 | C2 | C3 | 106.2° | 107.8° |
| N1 | C2 | C1 | 112.6° | 109.8° |
| N1 | C2 | H15 | 107.5° | 109.8° |
| N1 | C8 | H6 | 109.8° | 109.6° |
| N1 | C8 | H7 | 109.8° | 109.8° |
| C6 | C3 | C2 | 122.5° | 122.6° |
| C6 | C3 | C4 | 112.8° | 113.8° |
| C2 | C3 | C4 | 124.8° | 123.6° |
| C3 | C2 | C1 | 116.1° | 109.8° |
| C3 | C2 | H15 | 107.2° | 109.8° |
| C3 | C4 | C5 | 112.0° | 115.6° |
| C3 | C4 | H1 | 124.0° | 122.2° |
| C5 | C4 | H1 | 124.0° | 122.2° |
| C4 | C5 | H3 | 123.9° | 125.2° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.4° |
| C2 | C1 | H14 | 109.4° | 109.5° |
| C1 | C2 | H15 | 106.8° | 109.8° |
| H4 | C7 | H5 | 109.5° | 109.6° |
| H6 | C8 | H7 | 109.4° | 109.6° |
| H8 | C10 | H9 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H14 | 109.5° | 109.5° |
| H13 | C1 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | N4 | C11 | C12 | 179.5° | 180.0° |
| N3 | N4 | C11 | C16 | 0.9° | 0.0° |
| N4 | N3 | N2 | C16 | 1.2° | 0.0° |
| N4 | N3 | N2 | C10 | 177.4° | 180.0° |
| N4 | C11 | C12 | C16 | 178.5° | 180.0° |
| N4 | C11 | C12 | C13 | 179.2° | 179.2° |
| C11 | N4 | N3 | N2 | 0.2° | 0.0° |
| N4 | C11 | C16 | N2 | 1.5° | 0.0° |
| N4 | C11 | C16 | C15 | 179.2° | 179.5° |
| N4 | C11 | C12 | H10 | 0.8° | 0.1° |
| C11 | C12 | C13 | H10 | 180.0° | 179.1° |
| C11 | C12 | C13 | C14 | 0.0° | 0.6° |
| C12 | C11 | C16 | N2 | 179.7° | 179.9° |
| C12 | C11 | C16 | C15 | 0.4° | 0.5° |
| C11 | C12 | C13 | H11 | 179.9° | 179.4° |
| C13 | C12 | C11 | C16 | 0.8° | 0.8° |
| C12 | C13 | C14 | H11 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.3° | 0.0° |
| C12 | C13 | C14 | H2 | 178.7° | 179.7° |
| N3 | N2 | C16 | C11 | 1.7° | 0.0° |
| N3 | N2 | C16 | C10 | 175.8° | 179.9° |
| N3 | N2 | C16 | C15 | 179.2° | 179.4° |
| N3 | N2 | C10 | C9 | 94.9° | 90.0° |
| N3 | N2 | C10 | H8 | 145.3° | 150.0° |
| N3 | N2 | C10 | H9 | 24.9° | 30.0° |
| C11 | C16 | N2 | C15 | 179.2° | 179.4° |
| C11 | C16 | N2 | C10 | 177.4° | 180.0° |
| C11 | C16 | C15 | C14 | 0.8° | 0.0° |
| C16 | C11 | C12 | H10 | 179.3° | 180.0° |
| C11 | C16 | C15 | H16 | 179.2° | 180.0° |
| C13 | C14 | C15 | C16 | 1.6° | 0.3° |
| C13 | C14 | C15 | H2 | 180.0° | 179.7° |
| C14 | C13 | C12 | H10 | 179.9° | 179.7° |
| C13 | C14 | C15 | H16 | 178.4° | 179.7° |
| N2 | C16 | C15 | C14 | 178.3° | 179.3° |
| C16 | N2 | C10 | C9 | 80.5° | 89.9° |
| C16 | N2 | C10 | H8 | 39.3° | 30.0° |
| C16 | N2 | C10 | H9 | 159.7° | 150.0° |
| N2 | C16 | C15 | H16 | 1.7° | 0.7° |
| C10 | N2 | C16 | C15 | 3.4° | 0.6° |
| N2 | C10 | C9 | H8 | 119.8° | 120.0° |
| N2 | C10 | C9 | H9 | 119.8° | 120.1° |
| N2 | C10 | C9 | O1 | 0.1° | 0.1° |
| N2 | C10 | C9 | N1 | 179.8° | 180.0° |
| N2 | C10 | H8 | H9 | 120.5° | 120.0° |
| C16 | C15 | C14 | H16 | 180.0° | 180.0° |
| C16 | C15 | C14 | H2 | 178.4° | 180.0° |
| C15 | C14 | C13 | H11 | 178.7° | 180.0° |
| C10 | C9 | O1 | N1 | 179.9° | 179.9° |
| C10 | C9 | N1 | C2 | 176.9° | 180.0° |
| C10 | C9 | N1 | C8 | 5.0° | 0.0° |
| C9 | C10 | H8 | H9 | 120.5° | 120.0° |
| O1 | C9 | N1 | C2 | 3.1° | 0.0° |
| O1 | C9 | N1 | C8 | 175.1° | 180.0° |
| O1 | C9 | C10 | H8 | 120.0° | 120.0° |
| O1 | C9 | C10 | H9 | 119.7° | 120.0° |
| C9 | N1 | C8 | C7 | 100.4° | 115.0° |
| C9 | N1 | C2 | C8 | 172.9° | 180.0° |
| C9 | N1 | C2 | C3 | 123.1° | 134.9° |
| C9 | N1 | C2 | C1 | 108.8° | 105.6° |
| C9 | N1 | C8 | H6 | 19.4° | 4.7° |
| C9 | N1 | C8 | H7 | 139.8° | 125.1° |
| N1 | C9 | C10 | H8 | 60.0° | 60.0° |
| N1 | C9 | C10 | H9 | 60.4° | 60.0° |
| C9 | N1 | C2 | H15 | 8.5° | 15.3° |
| S1 | C6 | C7 | C3 | 176.6° | 179.9° |
| S1 | C6 | C7 | C8 | 164.9° | 162.0° |
| S1 | C6 | C3 | C2 | 176.1° | 179.6° |
| S1 | C6 | C3 | C4 | 3.2° | 0.5° |
| C6 | S1 | C5 | C4 | 8.1° | 0.1° |
| C6 | S1 | C5 | H3 | 172.0° | 180.0° |
| S1 | C6 | C7 | H4 | 75.5° | 78.1° |
| S1 | C6 | C7 | H5 | 45.3° | 42.2° |
| C5 | S1 | C6 | C7 | 170.7° | 179.7° |
| C5 | S1 | C6 | C3 | 6.4° | 0.3° |
| S1 | C5 | C4 | C3 | 7.6° | 0.4° |
| S1 | C5 | C4 | H3 | 180.0° | 179.9° |
| S1 | C5 | C4 | H1 | 172.4° | 179.9° |
| C6 | C7 | C8 | H4 | 119.6° | 119.9° |
| C6 | C7 | C8 | H5 | 119.6° | 119.8° |
| C6 | C7 | C8 | N1 | 45.8° | 45.6° |
| C7 | C6 | C3 | C2 | 7.0° | 0.5° |
| C7 | C6 | C3 | C4 | 173.7° | 179.4° |
| C6 | C7 | H4 | H5 | 121.2° | 120.2° |
| C6 | C7 | C8 | H6 | 165.6° | 165.3° |
| C6 | C7 | C8 | H7 | 74.0° | 74.4° |
| C7 | C8 | N1 | C2 | 71.6° | 65.0° |
| C7 | C8 | N1 | H6 | 119.8° | 119.7° |
| C7 | C8 | N1 | H7 | 119.8° | 119.9° |
| C8 | C7 | C6 | C3 | 11.8° | 18.1° |
| C8 | C7 | H4 | H5 | 121.2° | 120.2° |
| C7 | C8 | H6 | H7 | 120.6° | 120.4° |
| N1 | C2 | C3 | C6 | 10.2° | 11.6° |
| N1 | C2 | C3 | C1 | 126.0° | 119.6° |
| N1 | C2 | C3 | H15 | 114.8° | 119.6° |
| N1 | C2 | C3 | C4 | 169.0° | 168.3° |
| N1 | C2 | C1 | H15 | 117.8° | 120.9° |
| C2 | N1 | C8 | H6 | 168.6° | 175.3° |
| C2 | N1 | C8 | H7 | 48.2° | 54.9° |
| N1 | C2 | C1 | H12 | 180.0° | 60.0° |
| N1 | C2 | C1 | H13 | 60.0° | 180.0° |
| N1 | C2 | C1 | H14 | 60.0° | 60.0° |
| C8 | N1 | C2 | C3 | 49.8° | 45.1° |
| C8 | N1 | C2 | C1 | 78.4° | 74.4° |
| N1 | C8 | C7 | H4 | 73.8° | 74.3° |
| N1 | C8 | C7 | H5 | 165.4° | 165.4° |
| N1 | C8 | H6 | H7 | 120.6° | 120.6° |
| C8 | N1 | C2 | H15 | 164.3° | 164.7° |
| C6 | C3 | C2 | C4 | 179.2° | 179.9° |
| C6 | C3 | C4 | C5 | 2.8° | 0.6° |
| C6 | C3 | C2 | C1 | 115.8° | 108.0° |
| C6 | C3 | C4 | H1 | 177.2° | 179.7° |
| C3 | C6 | C7 | H4 | 107.8° | 101.8° |
| C3 | C6 | C7 | H5 | 131.3° | 137.9° |
| C6 | C3 | C2 | H15 | 124.9° | 131.2° |
| C2 | C3 | C4 | C5 | 177.9° | 179.5° |
| C3 | C2 | C1 | H15 | 119.5° | 120.8° |
| C2 | C3 | C4 | H1 | 2.1° | 0.2° |
| C3 | C2 | C1 | H12 | 57.3° | 58.3° |
| C3 | C2 | C1 | H13 | 177.3° | 61.7° |
| C3 | C2 | C1 | H14 | 62.8° | 178.3° |
| C3 | C4 | C5 | H1 | 180.0° | 179.7° |
| C4 | C3 | C2 | C1 | 65.0° | 72.1° |
| C3 | C4 | C5 | H3 | 172.4° | 179.6° |
| C4 | C3 | C2 | H15 | 54.3° | 48.7° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C2 | C1 | H12 | H14 | 120.0° | 120.0° |
| C2 | C1 | H13 | H14 | 120.0° | 120.0° |
| H1 | C4 | C5 | H3 | 7.6° | 0.0° |
| H2 | C14 | C13 | H11 | 1.3° | 0.3° |
| H2 | C14 | C15 | H16 | 1.6° | 0.0° |
| H4 | C7 | C8 | H6 | 46.0° | 45.4° |
| H4 | C7 | C8 | H7 | 166.4° | 165.7° |
| H5 | C7 | C8 | H6 | 74.8° | 74.9° |
| H5 | C7 | C8 | H7 | 45.6° | 45.4° |
| H10 | C12 | C13 | H11 | 0.1° | 0.2° |
| H12 | C1 | H13 | H14 | 120.0° | 120.0° |
| H12 | C1 | C2 | H15 | 62.2° | 179.1° |
| H13 | C1 | C2 | H15 | 57.8° | 59.1° |
| H14 | C1 | C2 | H15 | 177.8° | 60.8° |
