ZMW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.22Å | 1.24Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.47Å | 1.46Å | |
| C2 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.37Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | N2 | sing | 1.35Å | 1.36Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| N3 | C13 | sing | 1.35Å | 1.35Å | |
| C13 | O2 | doub | 1.22Å | 1.23Å | |
| C13 | C14 | sing | 1.47Å | 1.45Å | |
| C14 | C15 | doub | 1.37Å | 1.35Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.36Å | Aromatic |
| C17 | O3 | sing | 1.34Å | 1.36Å | Aromatic |
| C3 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| C14 | O3 | sing | 1.35Å | 1.37Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N1 | 120.8° | 120.0° |
| O1 | C1 | N2 | 120.5° | 120.0° |
| C1 | N1 | C2 | 122.7° | 120.0° |
| N1 | C1 | N2 | 118.7° | 120.0° |
| C1 | N1 | H1 | 118.7° | 120.0° |
| N1 | C2 | C3 | 113.0° | 109.5° |
| C2 | N1 | H1 | 118.6° | 120.0° |
| N1 | C2 | H2 | 108.6° | 109.5° |
| N1 | C2 | H3 | 108.6° | 109.5° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C2 | C3 | C8 | 121.0° | 120.0° |
| C3 | C2 | H2 | 108.6° | 109.4° |
| C3 | C2 | H3 | 108.6° | 109.5° |
| C3 | C4 | C5 | 120.5° | 120.0° |
| C4 | C3 | C8 | 118.5° | 120.0° |
| C3 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | C6 | 120.3° | 120.0° |
| C5 | C4 | H4 | 119.7° | 120.0° |
| C4 | C5 | H5 | 119.9° | 120.1° |
| C5 | C6 | C7 | 119.8° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C7 | C6 | H6 | 120.1° | 119.9° |
| C6 | C7 | H7 | 119.9° | 120.0° |
| C7 | C8 | C3 | 120.6° | 120.0° |
| C8 | C7 | H7 | 119.9° | 120.0° |
| C7 | C8 | H8 | 119.7° | 120.0° |
| C1 | N2 | C9 | 125.4° | 120.6° |
| C1 | N2 | C12 | 120.1° | 120.8° |
| N2 | C9 | C10 | 112.0° | 108.4° |
| C9 | N2 | C12 | 114.2° | 118.6° |
| N2 | C9 | H9 | 108.8° | 110.0° |
| N2 | C9 | H10 | 108.8° | 109.5° |
| C9 | C10 | N3 | 108.3° | 108.6° |
| C9 | C10 | H12 | 109.8° | 109.6° |
| C9 | C10 | H11 | 109.8° | 109.8° |
| C10 | C9 | H9 | 108.8° | 109.6° |
| C10 | C9 | H10 | 108.8° | 109.6° |
| C10 | N3 | C11 | 110.2° | 118.8° |
| C10 | N3 | C13 | 121.9° | 120.6° |
| N3 | C10 | H12 | 109.8° | 109.6° |
| N3 | C10 | H11 | 109.8° | 109.6° |
| N3 | C11 | C12 | 109.7° | 108.6° |
| C11 | N3 | C13 | 127.8° | 120.6° |
| N3 | C11 | H13 | 109.4° | 109.6° |
| N3 | C11 | H14 | 109.4° | 109.6° |
| C11 | C12 | N2 | 112.0° | 108.7° |
| C12 | C11 | H13 | 109.4° | 109.6° |
| C12 | C11 | H14 | 109.4° | 109.6° |
| C11 | C12 | H16 | 108.9° | 109.6° |
| C11 | C12 | H15 | 108.9° | 109.6° |
| N3 | C13 | O2 | 120.0° | 120.0° |
| N3 | C13 | C14 | 122.9° | 120.0° |
| O2 | C13 | C14 | 117.1° | 120.0° |
| C13 | C14 | C15 | 131.3° | 126.0° |
| C13 | C14 | O3 | 118.8° | 126.0° |
| C14 | C15 | C16 | 107.0° | 106.7° |
| C15 | C14 | O3 | 109.8° | 108.1° |
| C14 | C15 | H17 | 126.5° | 126.6° |
| C15 | C16 | C17 | 106.5° | 107.1° |
| C16 | C15 | H17 | 126.5° | 126.7° |
| C15 | C16 | H18 | 126.8° | 126.5° |
| C16 | C17 | O3 | 109.9° | 108.7° |
| C16 | C17 | H19 | 125.1° | 125.6° |
| C17 | C16 | H18 | 126.8° | 126.4° |
| C17 | O3 | C14 | 106.7° | 109.4° |
| O3 | C17 | H19 | 125.0° | 125.7° |
| C3 | C8 | H8 | 119.7° | 120.0° |
| N2 | C12 | H16 | 108.8° | 109.6° |
| N2 | C12 | H15 | 108.8° | 109.8° |
| H12 | C10 | H11 | 109.5° | 109.6° |
| H13 | C11 | H14 | 109.5° | 109.7° |
| H16 | C12 | H15 | 109.5° | 109.6° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N1 | N2 | 177.2° | 180.0° |
| O1 | C1 | N1 | C2 | 6.5° | 5.2° |
| O1 | C1 | N2 | C9 | 179.7° | 5.2° |
| O1 | C1 | N2 | C12 | 6.4° | 174.2° |
| O1 | C1 | N1 | H1 | 173.5° | 174.6° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | C3 | 87.0° | 179.8° |
| N1 | C1 | N2 | C9 | 3.1° | 174.7° |
| N1 | C1 | N2 | C12 | 170.8° | 5.8° |
| C1 | N1 | C2 | H2 | 33.6° | 60.3° |
| C1 | N1 | C2 | H3 | 152.5° | 59.8° |
| N1 | C2 | C3 | H2 | 120.5° | 120.0° |
| N1 | C2 | C3 | H3 | 120.5° | 120.0° |
| N1 | C2 | C3 | C4 | 161.1° | 90.0° |
| C2 | N1 | C1 | N2 | 170.7° | 174.9° |
| N1 | C2 | C3 | C8 | 18.7° | 89.4° |
| N1 | C2 | H2 | H3 | 118.4° | 120.0° |
| C2 | C3 | C4 | C8 | 179.7° | 179.4° |
| C2 | C3 | C4 | C5 | 179.6° | 180.0° |
| C2 | C3 | C8 | C7 | 178.9° | 180.0° |
| C3 | C2 | N1 | H1 | 93.0° | 0.0° |
| C2 | C3 | C4 | H4 | 0.4° | 0.3° |
| C2 | C3 | C8 | H8 | 1.1° | 0.3° |
| C3 | C2 | H2 | H3 | 118.4° | 120.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.9° | 0.3° |
| C4 | C3 | C8 | C7 | 0.8° | 0.6° |
| C3 | C4 | C5 | H5 | 179.2° | 179.7° |
| C4 | C3 | C8 | H8 | 179.2° | 179.7° |
| C4 | C3 | C2 | H2 | 78.4° | 30.0° |
| C4 | C3 | C2 | H3 | 40.5° | 150.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 1.1° | 0.0° |
| C5 | C4 | C3 | C8 | 0.1° | 0.6° |
| C4 | C5 | C6 | H6 | 178.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 0.4° | 0.0° |
| C6 | C5 | C4 | H4 | 179.1° | 180.0° |
| C5 | C6 | C7 | H7 | 179.6° | 180.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C3 | 0.6° | 0.4° |
| C7 | C6 | C5 | H5 | 178.9° | 180.0° |
| C6 | C7 | C8 | H8 | 179.4° | 180.0° |
| C7 | C8 | C3 | H8 | 180.0° | 179.6° |
| C8 | C7 | C6 | H6 | 179.6° | 179.9° |
| C1 | N2 | C9 | C12 | 174.2° | 179.5° |
| C1 | N2 | C9 | C10 | 136.5° | 124.8° |
| C1 | N2 | C12 | C11 | 138.2° | 124.9° |
| N2 | C1 | N1 | H1 | 9.3° | 5.4° |
| C1 | N2 | C12 | H16 | 101.4° | 5.2° |
| C1 | N2 | C12 | H15 | 17.8° | 115.2° |
| C1 | N2 | C9 | H9 | 103.1° | 115.4° |
| C1 | N2 | C9 | H10 | 16.1° | 5.2° |
| N2 | C9 | C10 | H9 | 120.4° | 120.1° |
| N2 | C9 | C10 | H10 | 120.4° | 119.5° |
| N2 | C9 | C10 | N3 | 56.3° | 49.8° |
| C9 | N2 | C12 | C11 | 47.2° | 55.6° |
| N2 | C9 | C10 | H12 | 176.1° | 169.5° |
| N2 | C9 | C10 | H11 | 63.5° | 70.0° |
| C9 | N2 | C12 | H16 | 73.1° | 175.4° |
| C9 | N2 | C12 | H15 | 167.6° | 64.2° |
| N2 | C9 | H9 | H10 | 118.8° | 120.5° |
| C9 | C10 | N3 | H12 | 119.8° | 119.7° |
| C9 | C10 | N3 | H11 | 119.8° | 120.0° |
| C9 | C10 | N3 | C11 | 63.5° | 55.3° |
| C9 | C10 | N3 | C13 | 113.4° | 124.5° |
| C10 | C9 | N2 | C12 | 49.3° | 55.8° |
| C9 | C10 | H12 | H11 | 120.5° | 120.5° |
| C10 | C9 | H9 | H10 | 118.8° | 120.3° |
| C10 | N3 | C11 | C13 | 176.6° | 179.8° |
| C10 | N3 | C11 | C12 | 62.2° | 55.0° |
| C10 | N3 | C13 | O2 | 8.0° | 6.4° |
| C10 | N3 | C13 | C14 | 169.0° | 173.7° |
| N3 | C10 | H12 | H11 | 120.5° | 120.4° |
| C10 | N3 | C11 | H13 | 177.8° | 64.7° |
| C10 | N3 | C11 | H14 | 57.9° | 174.7° |
| N3 | C10 | C9 | H9 | 64.1° | 70.3° |
| N3 | C10 | C9 | H10 | 176.7° | 169.4° |
| N3 | C11 | C12 | H13 | 120.0° | 119.7° |
| N3 | C11 | C12 | H14 | 120.0° | 119.8° |
| C11 | N3 | C13 | O2 | 175.7° | 173.3° |
| C11 | N3 | C13 | C14 | 7.2° | 6.5° |
| N3 | C11 | C12 | N2 | 52.7° | 49.4° |
| C11 | N3 | C10 | H12 | 176.7° | 175.0° |
| C11 | N3 | C10 | H11 | 56.3° | 64.7° |
| N3 | C11 | H13 | H14 | 119.9° | 120.5° |
| N3 | C11 | C12 | H16 | 67.6° | 169.2° |
| N3 | C11 | C12 | H15 | 173.1° | 70.6° |
| C12 | C11 | N3 | C13 | 114.4° | 124.8° |
| C11 | C12 | N2 | H16 | 120.4° | 119.8° |
| C11 | C12 | N2 | H15 | 120.4° | 119.8° |
| C12 | C11 | H13 | H14 | 119.9° | 120.4° |
| C11 | C12 | H16 | H15 | 118.9° | 120.3° |
| N3 | C13 | O2 | C14 | 177.2° | 179.9° |
| N3 | C13 | C14 | C15 | 164.1° | 172.6° |
| N3 | C13 | C14 | O3 | 18.0° | 7.5° |
| C13 | N3 | C10 | H12 | 6.4° | 4.8° |
| C13 | N3 | C10 | H11 | 126.8° | 115.5° |
| C13 | N3 | C11 | H13 | 5.6° | 115.5° |
| C13 | N3 | C11 | H14 | 125.5° | 5.0° |
| O2 | C13 | C14 | C15 | 18.8° | 7.3° |
| O2 | C13 | C14 | O3 | 159.2° | 172.6° |
| C13 | C14 | C15 | O3 | 178.1° | 179.9° |
| C13 | C14 | C15 | C16 | 179.7° | 179.9° |
| C13 | C14 | O3 | C17 | 179.2° | 179.8° |
| C13 | C14 | C15 | H17 | 0.3° | 0.2° |
| C14 | C15 | C16 | H17 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 1.7° | 0.2° |
| C15 | C14 | O3 | C17 | 0.9° | 0.2° |
| C14 | C15 | C16 | H18 | 178.3° | 179.8° |
| C15 | C16 | C17 | H18 | 180.0° | 180.0° |
| C15 | C16 | C17 | O3 | 1.2° | 0.4° |
| C16 | C15 | C14 | O3 | 1.6° | 0.0° |
| C15 | C16 | C17 | H19 | 178.8° | 180.0° |
| C16 | C17 | O3 | H19 | 180.0° | 179.6° |
| C16 | C17 | O3 | C14 | 0.2° | 0.4° |
| C17 | C16 | C15 | H17 | 178.3° | 179.9° |
| O3 | C17 | C16 | H18 | 178.8° | 179.6° |
| C8 | C3 | C4 | H4 | 179.9° | 179.7° |
| C3 | C8 | C7 | H7 | 179.4° | 179.7° |
| C8 | C3 | C2 | H2 | 101.9° | 150.6° |
| C8 | C3 | C2 | H3 | 139.2° | 30.6° |
| N2 | C12 | C11 | H13 | 172.8° | 70.3° |
| N2 | C12 | C11 | H14 | 67.3° | 169.2° |
| N2 | C12 | H16 | H15 | 118.8° | 120.5° |
| C12 | N2 | C9 | H9 | 71.1° | 64.1° |
| C12 | N2 | C9 | H10 | 169.7° | 175.4° |
| O3 | C14 | C15 | H17 | 178.4° | 179.7° |
| C14 | O3 | C17 | H19 | 179.7° | 180.0° |
| H1 | N1 | C2 | H2 | 146.4° | 120.0° |
| H1 | N1 | C2 | H3 | 27.5° | 120.0° |
| H4 | C4 | C5 | H5 | 0.9° | 0.0° |
| H5 | C5 | C6 | H6 | 1.1° | 0.0° |
| H6 | C6 | C7 | H7 | 0.4° | 0.0° |
| H7 | C7 | C8 | H8 | 0.6° | 0.1° |
| H12 | C10 | C9 | H9 | 55.8° | 49.4° |
| H12 | C10 | C9 | H10 | 63.5° | 70.9° |
| H11 | C10 | C9 | H9 | 176.1° | 169.8° |
| H11 | C10 | C9 | H10 | 56.9° | 49.5° |
| H17 | C15 | C16 | H18 | 1.7° | 0.1° |
| H19 | C17 | C16 | H18 | 1.2° | 0.0° |
| H13 | C11 | C12 | H16 | 52.4° | 49.5° |
| H13 | C11 | C12 | H15 | 66.9° | 169.7° |
| H14 | C11 | C12 | H16 | 172.3° | 71.0° |
| H14 | C11 | C12 | H15 | 53.0° | 49.2° |
