ZMN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.37Å | |
| O1 | C7 | sing | 1.43Å | 1.43Å | |
| C7 | C8 | sing | 1.53Å | 1.50Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | N1 | sing | 1.46Å | 1.46Å | |
| N1 | C10 | sing | 1.35Å | 1.30Å | |
| C10 | O2 | doub | 1.22Å | 1.24Å | |
| C10 | N2 | sing | 1.35Å | 1.35Å | |
| N2 | C11 | sing | 1.47Å | 1.47Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | N3 | sing | 1.47Å | 1.46Å | |
| N3 | C13 | sing | 1.47Å | 1.46Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| N3 | C15 | sing | 1.35Å | 1.34Å | |
| C15 | O3 | doub | 1.22Å | 1.22Å | |
| C15 | C16 | sing | 1.47Å | 1.45Å | |
| C16 | C17 | doub | 1.37Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C19 | doub | 1.35Å | 1.33Å | Aromatic |
| C19 | O4 | sing | 1.34Å | 1.37Å | Aromatic |
| C6 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | C14 | sing | 1.47Å | 1.47Å | |
| C16 | O4 | sing | 1.35Å | 1.37Å | Aromatic |
| N1 | H13 | sing | 0.97Å | 1.00Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H24 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | BR1 | sing | 1.89Å | 1.85Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 121.0° | 120.0° |
| C1 | C2 | C20 | 120.6° | 120.0° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C3 | C4 | 121.4° | 120.1° |
| C3 | C2 | C20 | 118.4° | 120.1° |
| C2 | C3 | H4 | 119.3° | 120.0° |
| C3 | C4 | C5 | 120.1° | 120.1° |
| C3 | C4 | H5 | 119.9° | 119.9° |
| C4 | C3 | H4 | 119.3° | 119.9° |
| C4 | C5 | C6 | 119.0° | 119.9° |
| C5 | C4 | H5 | 120.0° | 120.0° |
| C4 | C5 | H6 | 120.5° | 120.0° |
| C5 | C6 | O1 | 119.5° | 120.1° |
| C5 | C6 | C20 | 120.7° | 119.9° |
| C6 | C5 | H6 | 120.5° | 120.0° |
| C6 | O1 | C7 | 117.4° | 117.0° |
| O1 | C6 | C20 | 119.7° | 120.1° |
| O1 | C7 | C8 | 108.2° | 109.5° |
| O1 | C7 | H7 | 109.8° | 109.5° |
| O1 | C7 | H8 | 109.8° | 109.5° |
| C7 | C8 | C9 | 112.2° | 109.5° |
| C8 | C7 | H7 | 109.8° | 109.4° |
| C8 | C7 | H8 | 109.8° | 109.4° |
| C7 | C8 | H10 | 108.8° | 109.5° |
| C7 | C8 | H9 | 108.8° | 109.4° |
| C8 | C9 | N1 | 112.0° | 109.5° |
| C9 | C8 | H10 | 108.8° | 109.5° |
| C9 | C8 | H9 | 108.8° | 109.5° |
| C8 | C9 | H12 | 108.9° | 109.5° |
| C8 | C9 | H11 | 108.8° | 109.5° |
| C9 | N1 | C10 | 122.0° | 120.0° |
| C9 | N1 | H13 | 119.0° | 120.0° |
| N1 | C9 | H12 | 108.8° | 109.5° |
| N1 | C9 | H11 | 108.8° | 109.4° |
| N1 | C10 | O2 | 120.8° | 120.0° |
| N1 | C10 | N2 | 117.8° | 120.0° |
| C10 | N1 | H13 | 119.0° | 119.9° |
| O2 | C10 | N2 | 121.5° | 120.0° |
| C10 | N2 | C11 | 123.1° | 120.6° |
| C10 | N2 | C14 | 120.7° | 120.4° |
| N2 | C11 | C12 | 112.0° | 108.8° |
| C11 | N2 | C14 | 115.9° | 119.0° |
| N2 | C11 | H14 | 108.8° | 109.2° |
| N2 | C11 | H15 | 108.8° | 110.0° |
| C11 | C12 | N3 | 108.5° | 108.6° |
| C12 | C11 | H14 | 108.8° | 109.6° |
| C12 | C11 | H15 | 108.9° | 109.6° |
| C11 | C12 | H17 | 109.7° | 109.6° |
| C11 | C12 | H16 | 109.7° | 109.6° |
| C12 | N3 | C13 | 111.0° | 118.8° |
| C12 | N3 | C15 | 120.3° | 120.6° |
| N3 | C12 | H17 | 109.7° | 109.6° |
| N3 | C12 | H16 | 109.7° | 109.6° |
| N3 | C13 | C14 | 108.3° | 108.6° |
| C13 | N3 | C15 | 128.6° | 120.6° |
| N3 | C13 | H18 | 109.8° | 109.6° |
| N3 | C13 | H19 | 109.8° | 109.6° |
| C13 | C14 | N2 | 112.4° | 108.6° |
| C14 | C13 | H18 | 109.7° | 109.6° |
| C14 | C13 | H19 | 109.8° | 109.6° |
| C13 | C14 | H21 | 108.7° | 109.6° |
| C13 | C14 | H20 | 108.7° | 109.6° |
| N3 | C15 | O3 | 117.4° | 120.0° |
| N3 | C15 | C16 | 125.9° | 120.0° |
| O3 | C15 | C16 | 116.3° | 120.0° |
| C15 | C16 | C17 | 129.3° | 126.0° |
| C15 | C16 | O4 | 121.3° | 126.0° |
| C16 | C17 | C18 | 107.2° | 106.7° |
| C17 | C16 | O4 | 109.3° | 108.0° |
| C16 | C17 | H22 | 126.4° | 126.7° |
| C17 | C18 | C19 | 107.0° | 107.1° |
| C18 | C17 | H22 | 126.4° | 126.6° |
| C17 | C18 | H23 | 126.5° | 126.4° |
| C18 | C19 | O4 | 110.6° | 108.7° |
| C19 | C18 | H23 | 126.5° | 126.5° |
| C18 | C19 | BR1 | 131.9° | 125.6° |
| C19 | O4 | C16 | 105.8° | 109.4° |
| O4 | C19 | BR1 | 117.6° | 125.6° |
| C6 | C20 | C2 | 120.3° | 120.0° |
| C6 | C20 | H24 | 119.9° | 120.0° |
| C2 | C20 | H24 | 119.9° | 120.0° |
| N2 | C14 | H21 | 108.7° | 109.5° |
| N2 | C14 | H20 | 108.7° | 109.7° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C8 | H9 | 109.5° | 109.5° |
| H18 | C13 | H19 | 109.5° | 109.8° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H14 | C11 | H15 | 109.4° | 109.6° |
| H17 | C12 | H16 | 109.5° | 109.8° |
| H21 | C14 | H20 | 109.5° | 109.7° |
| H12 | C9 | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C20 | 179.5° | 179.4° |
| C1 | C2 | C3 | C4 | 180.0° | 180.0° |
| C1 | C2 | C20 | C6 | 179.8° | 179.7° |
| C1 | C2 | C20 | H24 | 0.2° | 0.3° |
| C2 | C1 | H2 | H1 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C1 | C2 | C3 | H4 | 0.0° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.5° |
| C3 | C2 | C20 | C6 | 0.3° | 0.3° |
| C2 | C3 | C4 | H5 | 179.7° | 179.7° |
| C3 | C2 | C20 | H24 | 179.7° | 179.7° |
| C3 | C2 | C1 | H2 | 90.3° | 90.1° |
| C3 | C2 | C1 | H1 | 149.8° | 150.0° |
| C3 | C2 | C1 | H3 | 29.7° | 30.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.0° | 0.2° |
| C4 | C3 | C2 | C20 | 0.4° | 0.5° |
| C3 | C4 | C5 | H6 | 179.9° | 179.8° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| C4 | C5 | C6 | O1 | 179.9° | 180.0° |
| C4 | C5 | C6 | C20 | 0.1° | 0.1° |
| C5 | C4 | C3 | H4 | 179.7° | 179.6° |
| C5 | C6 | O1 | C20 | 179.8° | 179.9° |
| C5 | C6 | O1 | C7 | 59.0° | 0.1° |
| C5 | C6 | C20 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C5 | C6 | C20 | H24 | 180.0° | 179.9° |
| C6 | O1 | C7 | C8 | 135.3° | 180.0° |
| O1 | C6 | C20 | C2 | 179.7° | 179.9° |
| O1 | C6 | C5 | H6 | 0.1° | 0.0° |
| C6 | O1 | C7 | H7 | 15.5° | 60.0° |
| C6 | O1 | C7 | H8 | 104.9° | 60.1° |
| O1 | C6 | C20 | H24 | 0.3° | 0.0° |
| O1 | C7 | C8 | H7 | 119.8° | 120.0° |
| O1 | C7 | C8 | H8 | 119.8° | 120.0° |
| O1 | C7 | C8 | C9 | 70.6° | 180.0° |
| C7 | O1 | C6 | C20 | 120.8° | 180.0° |
| O1 | C7 | H7 | H8 | 120.6° | 120.0° |
| O1 | C7 | C8 | H10 | 49.8° | 60.0° |
| O1 | C7 | C8 | H9 | 169.0° | 60.0° |
| C7 | C8 | C9 | H10 | 120.4° | 120.0° |
| C7 | C8 | C9 | H9 | 120.4° | 120.0° |
| C7 | C8 | C9 | N1 | 115.3° | 180.0° |
| C8 | C7 | H7 | H8 | 120.6° | 119.9° |
| C7 | C8 | H10 | H9 | 118.8° | 119.9° |
| C7 | C8 | C9 | H12 | 5.1° | 60.0° |
| C7 | C8 | C9 | H11 | 124.3° | 60.0° |
| C8 | C9 | N1 | H12 | 120.4° | 120.0° |
| C8 | C9 | N1 | H11 | 120.4° | 120.0° |
| C8 | C9 | N1 | C10 | 81.1° | 180.0° |
| C8 | C9 | N1 | H13 | 98.9° | 0.3° |
| C9 | C8 | C7 | H7 | 169.6° | 60.0° |
| C9 | C8 | C7 | H8 | 49.2° | 60.0° |
| C9 | C8 | H10 | H9 | 118.8° | 120.0° |
| C8 | C9 | H12 | H11 | 118.8° | 120.0° |
| C9 | N1 | C10 | H13 | 180.0° | 179.8° |
| C9 | N1 | C10 | O2 | 27.3° | 4.9° |
| C9 | N1 | C10 | N2 | 152.0° | 175.2° |
| N1 | C9 | C8 | H10 | 124.3° | 60.0° |
| N1 | C9 | C8 | H9 | 5.2° | 60.0° |
| N1 | C9 | H12 | H11 | 118.8° | 120.0° |
| N1 | C10 | O2 | N2 | 179.3° | 179.9° |
| N1 | C10 | N2 | C11 | 9.8° | 5.1° |
| N1 | C10 | N2 | C14 | 164.1° | 174.3° |
| C10 | N1 | C9 | H12 | 158.5° | 59.9° |
| C10 | N1 | C9 | H11 | 39.3° | 60.0° |
| O2 | C10 | N2 | C11 | 169.5° | 174.9° |
| O2 | C10 | N2 | C14 | 16.6° | 5.7° |
| O2 | C10 | N1 | H13 | 152.7° | 174.9° |
| C10 | N2 | C11 | C14 | 174.2° | 179.4° |
| C10 | N2 | C11 | C12 | 140.5° | 124.7° |
| C10 | N2 | C14 | C13 | 140.6° | 124.6° |
| N2 | C10 | N1 | H13 | 28.0° | 5.0° |
| C10 | N2 | C11 | H14 | 99.2° | 115.6° |
| C10 | N2 | C11 | H15 | 20.1° | 4.7° |
| C10 | N2 | C14 | H21 | 99.0° | 4.9° |
| C10 | N2 | C14 | H20 | 20.2° | 115.6° |
| N2 | C11 | C12 | H14 | 120.4° | 119.4° |
| N2 | C11 | C12 | H15 | 120.4° | 120.3° |
| N2 | C11 | C12 | N3 | 53.2° | 49.1° |
| C11 | N2 | C14 | C13 | 45.1° | 54.8° |
| N2 | C11 | H14 | H15 | 118.8° | 120.5° |
| N2 | C11 | C12 | H17 | 173.1° | 168.8° |
| N2 | C11 | C12 | H16 | 66.6° | 70.6° |
| C11 | N2 | C14 | H21 | 75.4° | 174.5° |
| C11 | N2 | C14 | H20 | 165.5° | 65.0° |
| C11 | C12 | N3 | H17 | 119.8° | 119.7° |
| C11 | C12 | N3 | H16 | 119.9° | 119.7° |
| C11 | C12 | N3 | C13 | 64.5° | 55.2° |
| C11 | C12 | N3 | C15 | 110.7° | 125.0° |
| C12 | C11 | N2 | C14 | 45.3° | 54.7° |
| C12 | C11 | H14 | H15 | 118.9° | 120.3° |
| C11 | C12 | H17 | H16 | 120.4° | 120.5° |
| C12 | N3 | C13 | C15 | 174.7° | 179.7° |
| C12 | N3 | C13 | C14 | 63.9° | 55.5° |
| C12 | N3 | C15 | O3 | 15.1° | 174.2° |
| C12 | N3 | C15 | C16 | 156.3° | 5.8° |
| C12 | N3 | C13 | H18 | 176.3° | 64.2° |
| C12 | N3 | C13 | H19 | 56.0° | 175.3° |
| N3 | C12 | C11 | H14 | 67.2° | 70.3° |
| N3 | C12 | C11 | H15 | 173.6° | 169.3° |
| N3 | C12 | H17 | H16 | 120.4° | 120.4° |
| N3 | C13 | C14 | H18 | 119.8° | 119.7° |
| N3 | C13 | C14 | H19 | 119.8° | 119.7° |
| C13 | N3 | C15 | O3 | 170.5° | 5.6° |
| C13 | N3 | C15 | C16 | 18.0° | 174.4° |
| N3 | C13 | C14 | N2 | 52.4° | 49.4° |
| N3 | C13 | H18 | H19 | 120.6° | 120.4° |
| C13 | N3 | C12 | H17 | 175.7° | 174.9° |
| C13 | N3 | C12 | H16 | 55.4° | 64.5° |
| N3 | C13 | C14 | H21 | 68.0° | 169.1° |
| N3 | C13 | C14 | H20 | 172.9° | 70.5° |
| C14 | C13 | N3 | C15 | 110.9° | 124.8° |
| C13 | C14 | N2 | H21 | 120.4° | 119.7° |
| C13 | C14 | N2 | H20 | 120.4° | 119.8° |
| C14 | C13 | H18 | H19 | 120.5° | 120.5° |
| C13 | C14 | H21 | H20 | 118.6° | 120.4° |
| N3 | C15 | O3 | C16 | 172.3° | 180.0° |
| N3 | C15 | C16 | C17 | 166.5° | 174.0° |
| N3 | C15 | C16 | O4 | 16.8° | 5.9° |
| C15 | N3 | C13 | H18 | 8.9° | 115.5° |
| C15 | N3 | C13 | H19 | 129.3° | 5.0° |
| C15 | N3 | C12 | H17 | 9.1° | 5.3° |
| C15 | N3 | C12 | H16 | 129.4° | 115.2° |
| O3 | C15 | C16 | C17 | 22.0° | 6.0° |
| O3 | C15 | C16 | O4 | 154.8° | 174.1° |
| C15 | C16 | C17 | O4 | 177.0° | 180.0° |
| C15 | C16 | C17 | C18 | 176.6° | 180.0° |
| C15 | C16 | O4 | C19 | 177.2° | 179.7° |
| C15 | C16 | C17 | H22 | 3.4° | 0.2° |
| C16 | C17 | C18 | H22 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 0.5° | 0.2° |
| C17 | C16 | O4 | C19 | 0.2° | 0.3° |
| C16 | C17 | C18 | H23 | 179.5° | 179.7° |
| C17 | C18 | C19 | H23 | 180.0° | 179.9° |
| C17 | C18 | C19 | O4 | 0.4° | 0.4° |
| C18 | C17 | C16 | O4 | 0.4° | 0.0° |
| C17 | C18 | C19 | BR1 | 179.7° | 179.9° |
| C18 | C19 | O4 | BR1 | 179.4° | 179.5° |
| C18 | C19 | O4 | C16 | 0.2° | 0.5° |
| C19 | C18 | C17 | H22 | 179.5° | 180.0° |
| O4 | C19 | C18 | H23 | 179.6° | 179.5° |
| C6 | C20 | C2 | H24 | 180.0° | 180.0° |
| C20 | C6 | C5 | H6 | 179.8° | 179.9° |
| C20 | C2 | C1 | H2 | 90.2° | 90.5° |
| C20 | C2 | C1 | H1 | 29.7° | 29.5° |
| C20 | C2 | C1 | H3 | 149.8° | 149.4° |
| C20 | C2 | C3 | H4 | 179.6° | 179.5° |
| N2 | C14 | C13 | H18 | 172.3° | 70.3° |
| N2 | C14 | C13 | H19 | 67.4° | 169.2° |
| C14 | N2 | C11 | H14 | 75.0° | 65.0° |
| C14 | N2 | C11 | H15 | 165.8° | 174.7° |
| N2 | C14 | H21 | H20 | 118.7° | 120.5° |
| O4 | C16 | C17 | H22 | 179.6° | 179.8° |
| C16 | O4 | C19 | BR1 | 179.5° | 180.0° |
| H13 | N1 | C9 | H12 | 21.5° | 120.3° |
| H13 | N1 | C9 | H11 | 140.7° | 119.7° |
| H5 | C4 | C5 | H6 | 0.1° | 0.0° |
| H5 | C4 | C3 | H4 | 0.3° | 0.2° |
| H7 | C7 | C8 | H10 | 70.0° | 60.1° |
| H7 | C7 | C8 | H9 | 49.2° | 180.0° |
| H8 | C7 | C8 | H10 | 169.6° | 180.0° |
| H8 | C7 | C8 | H9 | 71.2° | 60.0° |
| H10 | C8 | C9 | H12 | 115.3° | 60.1° |
| H10 | C8 | C9 | H11 | 3.9° | 180.0° |
| H9 | C8 | C9 | H12 | 125.6° | 179.9° |
| H9 | C8 | C9 | H11 | 115.2° | 60.0° |
| H18 | C13 | C14 | H21 | 51.8° | 49.4° |
| H18 | C13 | C14 | H20 | 67.3° | 169.8° |
| H19 | C13 | C14 | H21 | 172.1° | 71.2° |
| H19 | C13 | C14 | H20 | 53.0° | 49.2° |
| H22 | C17 | C18 | H23 | 0.6° | 0.1° |
| H2 | C1 | H1 | H3 | 120.0° | 120.0° |
| H14 | C11 | C12 | H17 | 52.7° | 49.4° |
| H14 | C11 | C12 | H16 | 173.0° | 170.0° |
| H15 | C11 | C12 | H17 | 66.5° | 71.0° |
| H15 | C11 | C12 | H16 | 53.8° | 49.6° |
| H23 | C18 | C19 | BR1 | 0.3° | 0.0° |
